N-(2-carboxyethyl)-beta-alanine
TL;DR: N-(2-carboxyethyl)-beta-alanine (CAS 505-47-5) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-carboxyethylamino)propanoic acid
Also Known As: 3,3'-Iminodipropionic acid, 3,3'-Azanediyldipropanoic acid, 3,3-Bis(N,N-dipropanoic acid), 3-(2-carboxyethylamino)propanoic acid, aminodipropionic acid
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 505-47-5 |
|---|---|
| SMILES | C(CNCCC(=O)O)C(=O)O |
| InChIKey | TXPKUUXHNFRBPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-carboxyethyl)-beta-alanine (CAS 505-47-5), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: 3-(2-carboxyethylamino)propanoic acid.
Chemical Property Profile of N-(2-carboxyethyl)-beta-alanine
Property Insights of N-(2-carboxyethyl)-beta-alanine
The XLogP value of -3.5 indicates that N-(2-carboxyethyl)-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-carboxyethyl)-beta-alanine. Following Lipinski's Rule of Five, N-(2-carboxyethyl)-beta-alanine 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 N-(2-carboxyethyl)-beta-alanine?
The CAS number of N-(2-carboxyethyl)-beta-alanine is 505-47-5.
What is the molecular formula of N-(2-carboxyethyl)-beta-alanine?
The molecular formula of N-(2-carboxyethyl)-beta-alanine is C6H11NO4.
What is the molecular weight of N-(2-carboxyethyl)-beta-alanine?
The molecular weight of N-(2-carboxyethyl)-beta-alanine is 161.07 g/mol.
Where can I buy N-(2-carboxyethyl)-beta-alanine?
You can request a quote for N-(2-carboxyethyl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-carboxyethyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-carboxyethyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.