1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS 709648-68-0) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenoxycarbonylpyrrolidine-2-carboxylic acid
Also Known As: 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid, 1-(Phenoxycarbonyl)proline, 1-phenoxycarbonylpyrrolidine-2-carboxylic acid, 1-(Phenoxycarbonyl)proline #, Pyrrolidine-1,2-dicarboxylic acid 1-phenyl ester
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 709648-68-0 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)O |
| InChIKey | OUPMLYISWFZSNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS 709648-68-0), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 1-phenoxycarbonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid is 709648-68-0.
What is the molecular formula of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid is C12H13NO4.
What is the molecular weight of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid is 235.08 g/mol.
Where can I buy 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(Phenoxycarbonyl)pyrrolidine-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-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.