Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
TL;DR: Methyl 3-(5-oxopyrrolidin-2-yl)propanoate (CAS 81980-11-2) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-oxopyrrolidin-2-yl)propanoate
Also Known As: methyl 3-(5-oxopyrrolidin-2-yl)propanoate, 5-oxo-2-pyrrolidinepropanoic acid methyl ester, Methyl 3-(5-oxo-2-pyrrolidinyl)propanoate, Methyl 3-(5-oxo-2-pyrrolidinyl)propanoate #, Pyrrol-2-one-5-propionic acid, methyl(ester)
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 81980-11-2 |
|---|---|
| SMILES | COC(=O)CCC1CCC(=O)N1 |
| InChIKey | ZWKJBVNSPMQOLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(5-oxopyrrolidin-2-yl)propanoate (CAS 81980-11-2), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: methyl 3-(5-oxopyrrolidin-2-yl)propanoate.
Chemical Property Profile of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
Property Insights of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
The XLogP value of -0.1 indicates that Methyl 3-(5-oxopyrrolidin-2-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(5-oxopyrrolidin-2-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(5-oxopyrrolidin-2-yl)propanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The CAS number of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate is 81980-11-2.
What is the molecular formula of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The molecular formula of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate is C8H13NO3.
What is the molecular weight of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
The molecular weight of Methyl 3-(5-oxopyrrolidin-2-yl)propanoate is 171.09 g/mol.
Where can I buy Methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
You can request a quote for Methyl 3-(5-oxopyrrolidin-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(5-oxopyrrolidin-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(5-oxopyrrolidin-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.