Benzyl 5-oxopyrrolidine-2-carboxylate
TL;DR: Benzyl 5-oxopyrrolidine-2-carboxylate (CAS 60555-57-9) 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.
benzyl 5-oxopyrrolidine-2-carboxylate
Also Known As: benzyl 5-oxopyrrolidine-2-carboxylate, Benzyl 5-oxoprolinate, Benzyl PCA, benzyl5-oxoprolinate, Proline, 5-oxo-,phenylmethyl ester
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 60555-57-9 |
|---|---|
| SMILES | C1CC(=O)NC1C(=O)OCC2=CC=CC=C2 |
| InChIKey | NVKOCDGGRHAHOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 5-oxopyrrolidine-2-carboxylate (CAS 60555-57-9), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: benzyl 5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of Benzyl 5-oxopyrrolidine-2-carboxylate
Property Insights of Benzyl 5-oxopyrrolidine-2-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 5-oxopyrrolidine-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Benzyl 5-oxopyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 5-oxopyrrolidine-2-carboxylate 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 Benzyl 5-oxopyrrolidine-2-carboxylate?
The CAS number of Benzyl 5-oxopyrrolidine-2-carboxylate is 60555-57-9.
What is the molecular formula of Benzyl 5-oxopyrrolidine-2-carboxylate?
The molecular formula of Benzyl 5-oxopyrrolidine-2-carboxylate is C12H13NO3.
What is the molecular weight of Benzyl 5-oxopyrrolidine-2-carboxylate?
The molecular weight of Benzyl 5-oxopyrrolidine-2-carboxylate is 219.09 g/mol.
Where can I buy Benzyl 5-oxopyrrolidine-2-carboxylate?
You can request a quote for Benzyl 5-oxopyrrolidine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 5-oxopyrrolidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-oxopyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.