![2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid structure](/static/products/5442/5442-45-5.webp)
2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid
TL;DR: 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid (CAS 5442-45-5) is a chemical compound with molecular formula C13H14N2O7 and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid
Also Known As: 2-methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid, 2-Methyl-N-(4-nitrobenzoyl)glutamic acid, Glutamic acid,2-methyl-n-(4-nitrobenzoyl)-
| Molecular Formula | C13H14N2O7 |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.0801 |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 5442-45-5 |
|---|---|
| SMILES | CC(CCC(=O)O)(C(=O)O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | JPCSDMAVHSDIKO-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid (CAS 5442-45-5), with molecular formula C13H14N2O7 and molecular weight 310.08 g/mol. IUPAC: 2-methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid.
Chemical Property Profile of 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid
Property Insights of 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid has 3 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 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid?
The CAS number of 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid is 5442-45-5.
What is the molecular formula of 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid?
The molecular formula of 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid is C13H14N2O7.
What is the molecular weight of 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid?
The molecular weight of 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid is 310.08 g/mol.
Where can I buy 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid?
You can request a quote for 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-[(4-nitrobenzoyl)amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.