2-Carbamoyl-3-methylbutanoic acid
TL;DR: 2-Carbamoyl-3-methylbutanoic acid (CAS 4431-61-2) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyl-3-methylbutanoic acid
Also Known As: 2-isopropyl-malonamic acid, 2-Carbamoyl-3-methylbutanoic acid, 2-Isopropylmalonamic acid, 2-Isopropylmalonamidic acid, 2-(Aminocarbonyl)-3-methylbutanoic acid #
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 4431-61-2 |
|---|---|
| SMILES | CC(C)C(C(=O)N)C(=O)O |
| InChIKey | NEBHNFJAFFHYGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Carbamoyl-3-methylbutanoic acid (CAS 4431-61-2), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: 2-carbamoyl-3-methylbutanoic acid.
Chemical Property Profile of 2-Carbamoyl-3-methylbutanoic acid
Property Insights of 2-Carbamoyl-3-methylbutanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbamoyl-3-methylbutanoic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Carbamoyl-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-Carbamoyl-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 3 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-Carbamoyl-3-methylbutanoic acid?
The CAS number of 2-Carbamoyl-3-methylbutanoic acid is 4431-61-2.
What is the molecular formula of 2-Carbamoyl-3-methylbutanoic acid?
The molecular formula of 2-Carbamoyl-3-methylbutanoic acid is C6H11NO3.
What is the molecular weight of 2-Carbamoyl-3-methylbutanoic acid?
The molecular weight of 2-Carbamoyl-3-methylbutanoic acid is 145.07 g/mol.
Where can I buy 2-Carbamoyl-3-methylbutanoic acid?
You can request a quote for 2-Carbamoyl-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbamoyl-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbamoyl-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.