2-(Butylamino)-3-phenylpropanoic acid
TL;DR: 2-(Butylamino)-3-phenylpropanoic acid (CAS 4561-90-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-3-phenylpropanoic acid
Also Known As: n-butylphenylalanine, L-Phenylalanine,N-butyl-, NCIOpen2_003002, 2-(butylamino)-3-phenylpropanoic acid, 2-(Butylamino)-3-phenylpropionic acid
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 4561-90-4 |
|---|---|
| SMILES | CCCCNC(CC1=CC=CC=C1)C(=O)O |
| InChIKey | XJUJRXBTMCGHTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Butylamino)-3-phenylpropanoic acid (CAS 4561-90-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 2-(butylamino)-3-phenylpropanoic acid.
Chemical Property Profile of 2-(Butylamino)-3-phenylpropanoic acid
Property Insights of 2-(Butylamino)-3-phenylpropanoic acid
The XLogP value of -0.3 indicates that 2-(Butylamino)-3-phenylpropanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 2-(Butylamino)-3-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylamino)-3-phenylpropanoic 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 2-(Butylamino)-3-phenylpropanoic acid?
The CAS number of 2-(Butylamino)-3-phenylpropanoic acid is 4561-90-4.
What is the molecular formula of 2-(Butylamino)-3-phenylpropanoic acid?
The molecular formula of 2-(Butylamino)-3-phenylpropanoic acid is C13H19NO2.
What is the molecular weight of 2-(Butylamino)-3-phenylpropanoic acid?
The molecular weight of 2-(Butylamino)-3-phenylpropanoic acid is 221.14 g/mol.
Where can I buy 2-(Butylamino)-3-phenylpropanoic acid?
You can request a quote for 2-(Butylamino)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylamino)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.