2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid
TL;DR: 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid (CAS 36173-91-8) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-carboxypropylcarbamoyl)benzoic acid
Also Known As: N-Phthaloyl GABA, 2-((3-carboxypropyl)carbamoyl)benzoic acid, P-GABA, N-Phthaloyl-4-aminobutyric acid, 2-[(3-carboxypropyl)carbamoyl]benzoic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 36173-91-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)C(=O)O |
| InChIKey | LENIZMSGCFPTBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid (CAS 36173-91-8), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 2-(3-carboxypropylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid
Property Insights of 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid has 3 hydrogen bond donor(s) and 5 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 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid?
The CAS number of 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid is 36173-91-8.
What is the molecular formula of 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid?
The molecular formula of 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid is C12H13NO5.
What is the molecular weight of 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid?
The molecular weight of 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid is 251.08 g/mol.
Where can I buy 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid?
You can request a quote for 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((3-Carboxypropyl)amino)carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.