![4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid structure](/static/products/296/296276-66-9.png)
4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid
TL;DR: 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid (CAS 296276-66-9) 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.
4-[(3-carboxypropanoylamino)methyl]benzoic acid
Also Known As: 4-{[(3-carboxypropanoyl)amino]methyl}benzoic acid, 4-[(3-carboxypropanoylamino)methyl]benzoic acid, 4-[(3-CARBOXYPROPANAMIDO)METHYL]BENZOIC ACID, 4-[[(4-hydroxy-4-oxobutanoyl)amino]methyl]benzoic acid, benzoic acid, 4-[[(3-carboxy-1-oxopropyl)amino]methyl]-
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.0 |
| 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 | 320.0 |
Chemical Identifiers
| CAS Number | 296276-66-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CCC(=O)O)C(=O)O |
| InChIKey | UXPYVXQKXHHPSL-UHFFFAOYSA-N |
Product Overview
4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid (CAS 296276-66-9), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 4-[(3-carboxypropanoylamino)methyl]benzoic acid.
Chemical Property Profile of 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid
Property Insights of 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(3-Carboxypropanoyl)amino]methyl}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 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid?
The CAS number of 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid is 296276-66-9.
What is the molecular formula of 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid?
The molecular formula of 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid is C12H13NO5.
What is the molecular weight of 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid?
The molecular weight of 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid is 251.08 g/mol.
Where can I buy 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid?
You can request a quote for 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Carboxypropanoyl)amino]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.