Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-
TL;DR: Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- (CAS 7499-15-2) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyl-3-methyl-2-propan-2-ylbutanoic acid
Also Known As: Malonamic acid, 2,2-diisopropyl-, 2,2-Diisopropylmalonoic acid monoamide, 2-carbamoyl-3-methyl-2-propan-2-ylbutanoic acid, 2-carbamoyl-3-methyl-2-(propan-2-yl)butanoic acid, 2-Carbamoyl-2-isopropyl-3-methylbutanoicacid
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 7499-15-2 |
|---|---|
| SMILES | CC(C)C(C(C)C)(C(=O)N)C(=O)O |
| InChIKey | BQOUKOFSUDJODA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- (CAS 7499-15-2), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: 2-carbamoyl-3-methyl-2-propan-2-ylbutanoic acid.
Chemical Property Profile of Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-
Property Insights of Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-. Following Lipinski's Rule of Five, Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- 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 Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-?
The CAS number of Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- is 7499-15-2.
What is the molecular formula of Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-?
The molecular formula of Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- is C9H17NO3.
What is the molecular weight of Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-?
The molecular weight of Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- is 187.12 g/mol.
Where can I buy Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-?
You can request a quote for Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(aminocarbonyl)-3-methyl-2-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.