1-Benzyl-5-oxopyrrolidine-2-carboxylic acid
TL;DR: 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid (CAS 38854-94-3) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-oxopyrrolidine-2-carboxylic acid
Also Known As: 1-benzyl-5-oxopyrrolidine-2-carboxylic acid, (S)-1-BENZYL-5-CARBOXY-2-PYRROLIDINONE, (S)-1-benzyl-5-oxopyrrolidine-2-carboxylic acid, 1,2,4-TRIAZOLE-1-ACETICACID, (R)-1-BENZYL-5-CARBOXY-2-PYRROLIDINONE
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 38854-94-3 |
|---|---|
| SMILES | C1CC(=O)N(C1C(=O)O)CC2=CC=CC=C2 |
| InChIKey | MOHLVDJRXGVGOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-5-oxopyrrolidine-2-carboxylic acid (CAS 38854-94-3), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 1-benzyl-5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid
Property Insights of 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid 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 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid?
The CAS number of 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid is 38854-94-3.
What is the molecular formula of 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid?
The molecular formula of 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid is C12H13NO3.
What is the molecular weight of 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid?
The molecular weight of 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid is 219.09 g/mol.
Where can I buy 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid?
You can request a quote for 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-oxopyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.