3-Amino-2-benzylpropanoic acid
TL;DR: 3-Amino-2-benzylpropanoic acid (CAS 97474-27-6) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aminomethyl)-3-phenylpropanoic acid
Also Known As: 3-amino-2-benzylpropanoic acid, null, 2-(Aminomethyl)-3-phenylpropionic Acid, 2-AMINOMETHYL-3-PHENYL-PROPIONIc acid, 2-(aminomethyl)-3-phenylpropanoic acid
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 97474-27-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CN)C(=O)O |
| InChIKey | DJYVEBBGKNAHKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-2-benzylpropanoic acid (CAS 97474-27-6), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 2-(aminomethyl)-3-phenylpropanoic acid.
Chemical Property Profile of 3-Amino-2-benzylpropanoic acid
Property Insights of 3-Amino-2-benzylpropanoic acid
The XLogP value of -1.5 indicates that 3-Amino-2-benzylpropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-benzylpropanoic acid. Following Lipinski's Rule of Five, 3-Amino-2-benzylpropanoic acid has 2 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 3-Amino-2-benzylpropanoic acid?
The CAS number of 3-Amino-2-benzylpropanoic acid is 97474-27-6.
What is the molecular formula of 3-Amino-2-benzylpropanoic acid?
The molecular formula of 3-Amino-2-benzylpropanoic acid is C10H13NO2.
What is the molecular weight of 3-Amino-2-benzylpropanoic acid?
The molecular weight of 3-Amino-2-benzylpropanoic acid is 179.09 g/mol.
Where can I buy 3-Amino-2-benzylpropanoic acid?
You can request a quote for 3-Amino-2-benzylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-benzylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-benzylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.