2-Carbamoyl-3-methylbutanoic acid
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 #|J1.410.188H
CAS: 4431-61-2
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.0739 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 |
| Monoisotopic 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.
Agrochemicals (6 patents)
Heterocyclic Building Blocks (11 patents)
Pharmaceutical Intermediates (13 patents)
Product Overview
2-Carbamoyl-3-methylbutanoic acid (CAS 4431-61-2), with molecular formula C6H11NO3 and molecular weight 145.0739 g/mol. IUPAC: 2-carbamoyl-3-methylbutanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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