(AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-ox… 328086-60-8

Name: (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester
Brand: Vaqora Chemicals
SKU: VQ-044947

About (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester

(AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester (CAS 328086-60-8) is a process intermediate or related compound of Nirmatrelvir offered by Vaqora Chemicals. Formula C13H22N2O5, molecular weight 286.32 g/mol. Systematically, it is named methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate. Common synonyms include Paxlovid Intermediate 3.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Process chemists and analysts use it when developing synthetic routes to Nirmatrelvir, tracking process-related impurities and validating analytical methods. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

We offer (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development
Fine chemical synthesis

Industries

Related to Nirmatrelvir

View every impurity, metabolite and intermediate we list for Nirmatrelvir.

Nirmatrelvir impurities

Specifications & identifiers

Chemical identifiers
Product name	(AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester
Catalogue No.	VQ-044947
CAS Number	328086-60-8
IUPAC name	methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
Molecular formula	C₁₃H₂₂N₂O₅
Molecular weight	286.32 g/mol
Exact mass	286.1529
HSN code	2933
InChIKey	HTQMBOWAEPNWLI-IUCAKERBSA-N
SMILES	CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)OC
PubChem CID	11380628

Physical properties
Physical form	Solid
LogP (XLogP3)	0.7
H-bond donors / acceptors	2 / 5
TPSA	93.7 Å²
Synonyms	methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate, methyl (2S)-2-(((tert-butoxy)carbonyl)amino)-3-((3S)-2-oxopyrrolidin-3-yl)propanoate, (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate, Methyl (S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate, methyl (S)-2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate, methyl (2S)-2-(tert-butoxycarbonylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate, Paxlovid Intermediate 3, Methyl (S)-2-[(tert-butoxycarbonyl)amino]-3-((S)-2-oxopyrrolidin-3-yl)propanoate, (S)-Methyl 2-((t-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester?

The CAS Registry Number of (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester is 328086-60-8. It is also known as methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate, methyl (2S)-2-(((tert-butoxy)carbonyl)amino)-3-((3S)-2-oxopyrrolidin-3-yl)propanoate, (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate.

What is the molecular formula and molecular weight of (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester?

(AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester has the molecular formula C13H22N2O5 and a molecular weight of 286.32 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate.

What is (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester used for?

(AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester is supplied as a characterised reference material related to Nirmatrelvir. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester can I order?

We supply (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester?

Yes. Every lot of (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester be shipped internationally?

Yes. (AS,3S)-a-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.