(S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
TL;DR: (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester (CAS 51523-00-3) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
Also Known As: (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester, (S)-Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate, methyl (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate, methyl (3R)-pyrrolidine-3-carboxylate, Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 51523-00-3 |
|---|---|
| SMILES | COC(=O)[C@H]1CC(=O)N(C1)CC2=CC=CC=C2 |
| InChIKey | WTRWSSDZHQOPJI-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester (CAS 51523-00-3), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: methyl (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
Property Insights of (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester. With a topological polar surface area (TPSA) of 46.6 Ų, (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester has 0 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 (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
The CAS number of (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is 51523-00-3.
What is the molecular formula of (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
The molecular formula of (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is C13H15NO3.
What is the molecular weight of (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
The molecular weight of (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is 233.11 g/mol.
Where can I buy (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
You can request a quote for (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.