![3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid structure](/static/products/104/104398-45-0.webp)
3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
TL;DR: 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid (CAS 104398-45-0) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
Also Known As: N-(3-nitrobenzoyl)-DL-valine, BAS 03008176, 3-methyl-2-[(3-nitrobenzoyl)amino]butanoic acid, 3-Methyl-2-(3-nitro-benzoylamino)-butyric acid
Technical Specifications
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.09027 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.09027 Da |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | CBCIBNBNVKLWSC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
Property Insights of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
The CAS number of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid is 104398-45-0.
What is the molecular formula of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
The molecular formula of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid is C12H14N2O5.
What is the molecular weight of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
The molecular weight of 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid is 266.09027 g/mol.
Where can I buy 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
You can request a quote for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-2-[(3-nitrobenzoyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.