2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid
TL;DR: 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid (CAS 5395-03-9) is a chemical compound with molecular formula C12H15NO5 and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid
Also Known As: n-(2-carboxyethyl)tyrosine, NCIOpen2_002482, 2-(2-carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid
| Molecular Formula | C12H15NO5 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.09502 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 5395-03-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)NCCC(=O)O)O |
| InChIKey | HBCGNMUCIARHNI-UHFFFAOYSA-N |
Product Overview
2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid (CAS 5395-03-9), with molecular formula C12H15NO5 and molecular weight 253.10 g/mol. IUPAC: 2-(2-carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid.
Chemical Property Profile of 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid
Property Insights of 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid
The XLogP value of -1.8 indicates that 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid. Following Lipinski's Rule of Five, 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid has 4 hydrogen bond donor(s) and 6 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-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid?
The CAS number of 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid is 5395-03-9.
What is the molecular formula of 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid?
The molecular formula of 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid is C12H15NO5.
What is the molecular weight of 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid?
The molecular weight of 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid is 253.10 g/mol.
Where can I buy 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid?
You can request a quote for 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Carboxyethylamino)-3-(4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.