N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine
TL;DR: N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine (CAS 102-66-9) is a chemical compound with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)carbamoylamino]propanoic acid
Also Known As: Suosan, Aspartic acid-beta-4-nitroanilide, Aspartic acid-beta-p-nitroanilide, 3-[(4-nitrophenyl)carbamoylamino]propanoic acid, N-(4-Nitrophenyl)-N'-(carboxyethyl)urea
| Molecular Formula | C10H11N3O5 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.06987 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 102-66-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NCCC(=O)O)[N+](=O)[O-] |
| InChIKey | MYMZLBHZVRWYRE-UHFFFAOYSA-N |
Product Overview
N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine (CAS 102-66-9), with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol. IUPAC: 3-[(4-nitrophenyl)carbamoylamino]propanoic acid.
Chemical Property Profile of N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine
Property Insights of N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine. Following Lipinski's Rule of Five, N-(((4-Nitrophenyl)amino)carbonyl)-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-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine?
The CAS number of N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine is 102-66-9.
What is the molecular formula of N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine?
The molecular formula of N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine is C10H11N3O5.
What is the molecular weight of N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine?
The molecular weight of N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine is 253.07 g/mol.
Where can I buy N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine?
You can request a quote for N-(((4-Nitrophenyl)amino)carbonyl)-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-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(((4-Nitrophenyl)amino)carbonyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.