Showing Metabocard for 2-methylbutanoate (BASm0002259)
| Common Name | 2-methylbutanoate |
|---|---|
| Description | Ethylmethylacetic acid, also known as alpha-methyl butyric acid or a-methyl butyrate, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Ethylmethylacetic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. |
| Structure | |
| Molecular Formula | C5H10O2 |
| Average Mass | 102.13170 |
| Monoisotopic Mass | 102.06808 |
| IUPAC Name | 2-methylbutanoic acid |
| Traditional Name | 2-methylbutyric acid |
| CAS Registry Number | 116-53-0 |
| SMILES | CCC(C)C(=O)[O-] |
| InChI Identifier | InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChI Key | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:48946 |
| HMDB ID | HMDB0002176 |
| State | Solid |
| Water Solubility | 5.72e+01 g/l |
| logP | 1.47 |
| logS | -0.25 |
| pKa (Strongest Acidic) | 4.97 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 37.3 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 26.45 m³·mol⁻¹ |
| Polarizability | 10.98 |