![3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid structure](/static/products/4975/49755-98-8.webp)
3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid
TL;DR: 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid (CAS 49755-98-8) is a chemical compound with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoic acid
Also Known As: EINECS 256-473-0, 3-(((2-(Methylamino)-2-oxoethyl)amino)carbonyl)-5-nitrobenzoic acid, 3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoic acid, N-(3-carboxy-5-nitrobenzoyl)-glycine Methylamide, 3-[[[2-(METHYLAMINO)-2-OXOETHYL]AMINO]CARBONYL]-5-NITROBENZOIC ACID
| Molecular Formula | C11H11N3O6 |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | -0.2312 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.0648 |
| Heavy Atoms | 20 |
| Complexity | 551.27124 |
Chemical Identifiers
| CAS Number | 49755-98-8 |
|---|---|
| SMILES | CNC(=O)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
Product Overview
3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid (CAS 49755-98-8), with molecular formula C11H11N3O6 and molecular weight 281.06 g/mol. IUPAC: 3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoic acid.
Chemical Property Profile of 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid
Property Insights of 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid
The XLogP value of -0.2312 indicates that 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid 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 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid?
The CAS number of 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid is 49755-98-8.
What is the molecular formula of 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid?
The molecular formula of 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid is C11H11N3O6.
What is the molecular weight of 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid?
The molecular weight of 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid is 281.06 g/mol.
Where can I buy 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid?
You can request a quote for 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[2-(Methylamino)-2-oxoethyl]amino]carbonyl]-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.