beta-Alanine, N-(2-carboxyethyl)-N-nitro-
TL;DR: beta-Alanine, N-(2-carboxyethyl)-N-nitro- (CAS 99-69-4) is a chemical compound with molecular formula C6H10N2O6 and molecular weight 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-carboxyethyl(nitro)amino]propanoic acid
Also Known As: 3,3'-Nitroiminodipropionic acid, N-(2-Carboxyethyl)-N-nitro-beta-alanine, beta-Alanine, N-(2-carboxyethyl)-N-nitro-, N- -N-nitro-beta-alanine, 4-nitro-4-azaheptanedioic acid
| Molecular Formula | C6H10N2O6 |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.05388 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 99-69-4 |
|---|---|
| SMILES | C(CN(CCC(=O)O)[N+](=O)[O-])C(=O)O |
| InChIKey | MXPYFZODOSRODU-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(2-carboxyethyl)-N-nitro- (CAS 99-69-4), with molecular formula C6H10N2O6 and molecular weight 206.05 g/mol. IUPAC: 3-[2-carboxyethyl(nitro)amino]propanoic acid.
Chemical Property Profile of beta-Alanine, N-(2-carboxyethyl)-N-nitro-
Property Insights of beta-Alanine, N-(2-carboxyethyl)-N-nitro-
The XLogP value of -0.4 indicates that beta-Alanine, N-(2-carboxyethyl)-N-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(2-carboxyethyl)-N-nitro-. Following Lipinski's Rule of Five, beta-Alanine, N-(2-carboxyethyl)-N-nitro- has 2 hydrogen bond donor(s) and 7 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 beta-Alanine, N-(2-carboxyethyl)-N-nitro-?
The CAS number of beta-Alanine, N-(2-carboxyethyl)-N-nitro- is 99-69-4.
What is the molecular formula of beta-Alanine, N-(2-carboxyethyl)-N-nitro-?
The molecular formula of beta-Alanine, N-(2-carboxyethyl)-N-nitro- is C6H10N2O6.
What is the molecular weight of beta-Alanine, N-(2-carboxyethyl)-N-nitro-?
The molecular weight of beta-Alanine, N-(2-carboxyethyl)-N-nitro- is 206.05 g/mol.
Where can I buy beta-Alanine, N-(2-carboxyethyl)-N-nitro-?
You can request a quote for beta-Alanine, N-(2-carboxyethyl)-N-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(2-carboxyethyl)-N-nitro-?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2-carboxyethyl)-N-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.