3-amino-N-(carboxycarbonyl)-DL-alanine
TL;DR: 3-amino-N-(carboxycarbonyl)-DL-alanine (CAS 7554-89-4) is a chemical compound with molecular formula C5H8N2O5 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-(oxaloamino)propanoic acid
Also Known As: BOAA, 3-Amino-N-(carboxycarbonyl)alanine, beta-N-Oxalylaminoalanine, Oxalyldiaminopropionic acid, 3-amino-2-(oxaloamino)propanoic acid
| Molecular Formula | C5H8N2O5 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.04332 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
| Melting Point | 170 - 172 °C |
Chemical Identifiers
| CAS Number | 7554-89-4 |
|---|---|
| SMILES | C(C(C(=O)O)NC(=O)C(=O)O)N |
| InChIKey | FNXJKVNOUQAQMB-UHFFFAOYSA-N |
Product Overview
3-amino-N-(carboxycarbonyl)-DL-alanine (CAS 7554-89-4), with molecular formula C5H8N2O5 and molecular weight 176.04 g/mol. IUPAC: 3-amino-2-(oxaloamino)propanoic acid.
Chemical Property Profile of 3-amino-N-(carboxycarbonyl)-DL-alanine
Property Insights of 3-amino-N-(carboxycarbonyl)-DL-alanine
The XLogP value of -4.1 indicates that 3-amino-N-(carboxycarbonyl)-DL-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-N-(carboxycarbonyl)-DL-alanine. Following Lipinski's Rule of Five, 3-amino-N-(carboxycarbonyl)-DL-alanine 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 3-amino-N-(carboxycarbonyl)-DL-alanine?
The CAS number of 3-amino-N-(carboxycarbonyl)-DL-alanine is 7554-89-4.
What is the molecular formula of 3-amino-N-(carboxycarbonyl)-DL-alanine?
The molecular formula of 3-amino-N-(carboxycarbonyl)-DL-alanine is C5H8N2O5.
What is the molecular weight of 3-amino-N-(carboxycarbonyl)-DL-alanine?
The molecular weight of 3-amino-N-(carboxycarbonyl)-DL-alanine is 176.04 g/mol.
Where can I buy 3-amino-N-(carboxycarbonyl)-DL-alanine?
You can request a quote for 3-amino-N-(carboxycarbonyl)-DL-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-N-(carboxycarbonyl)-DL-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-N-(carboxycarbonyl)-DL-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.