1.0 2016-09-30 22:52:07 UTC 2020-04-22 15:10:02 UTC BMDB0002176 BMDB02176 Ethylmethylacetic acid 2-Methybutyric acid alpha-Methyl butyric acid alpha-Methylbutyric acid Butane-2-carboxylic acid Methylethylacetic acid 2-Methylbutyric acid 2-Methybutyrate a-Methyl butyrate a-Methyl butyric acid alpha-Methyl butyrate Α-methyl butyrate Α-methyl butyric acid a-Methylbutyrate a-Methylbutyric acid alpha-Methylbutyrate Α-methylbutyrate Α-methylbutyric acid Butane-2-carboxylate Methylethylacetate 2-Methylbutyrate Ethylmethylacetate (+/-)-2-methylbutyrate (+/-)-2-methylbutyric acid 2-Ethylpropionate 2-Ethylpropionic acid 2-Methyl butyrate 2-Methyl butyric acid 2-Methylbutanoate 2-Methylbutanoic acid D-2-Methyl butyrate D-2-Methyl butyric acid DL-2-Methy butyrate DL-2-Methy butyric acid DL-2-Methylbutyrate DL-2-Methylbutyric acid 2-Methylbutyrate, (+-)-isomer 2-Methylbutyrate, sodium salt RS-2-Methylbutyrate Ethylmethylacetic acid C5H10O2 102.1317 102.068079564 2-methylbutanoic acid (+-)-2-methylbutyrate 116-53-0 CCC(C)C(O)=O InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) WLAMNBDJUVNPJU-UHFFFAOYSA-N 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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Methyl-branched fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Branched fatty acids methylbutyric acid Solid water_solubility 45 mg/mL at 20 °C logp 1.18 HANSCH,C ET AL. (1995) logp 1.47 ALOGPS logs -0.25 ALOGPS logp 1.46 ChemAxon pka_strongest_acidic 4.97 ChemAxon iupac 2-methylbutanoic acid ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CCC(C)C(O)=O ChemAxon formula C5H10O2 ChemAxon inchi InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7) ChemAxon inchikey WLAMNBDJUVNPJU-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 26.45 ChemAxon polarizability 10.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 1576 Specdb::CMs 2643 Specdb::CMs 29457 Specdb::CMs 38298 Specdb::CMs 99756 Specdb::CMs 135905 Specdb::CMs 143639 Specdb::MsIr 1661 Specdb::MsIr 1662 Specdb::MsIr 1663 Specdb::NmrOneD 1860 Specdb::NmrOneD 3810 Specdb::NmrOneD 4075 Specdb::NmrOneD 10162 Specdb::NmrOneD 10163 Specdb::NmrOneD 10164 Specdb::NmrOneD 10165 Specdb::NmrOneD 10166 Specdb::NmrOneD 10167 Specdb::NmrOneD 10168 Specdb::NmrOneD 10169 Specdb::NmrOneD 10170 Specdb::NmrOneD 10171 Specdb::NmrOneD 10172 Specdb::NmrOneD 10173 Specdb::NmrOneD 10174 Specdb::NmrOneD 10175 Specdb::NmrOneD 10176 Specdb::NmrOneD 10177 Specdb::NmrOneD 10178 Specdb::NmrOneD 10179 Specdb::NmrOneD 10180 Specdb::NmrOneD 10181 Specdb::MsMs 6341 Specdb::MsMs 10691 Specdb::MsMs 10692 Specdb::MsMs 10693 Specdb::MsMs 12476 Specdb::MsMs 12477 Specdb::MsMs 12478 Specdb::MsMs 17363 Specdb::MsMs 17364 Specdb::MsMs 17365 Specdb::MsMs 19148 Specdb::MsMs 19149 Specdb::MsMs 19150 Specdb::MsMs 2343096 Specdb::MsMs 2343097 Specdb::MsMs 2343098 Specdb::MsMs 2596297 Specdb::MsMs 2596298 Specdb::MsMs 2596299 FDB008135 8012 8314 C18319 37070 C00029461 6528 Bueding, Ernest; Yale, Helen W. Production of a-methylbutyric acid by bacteria-free Ascaris lumbricoides. Journal of Biological Chemistry (1951), 193 411-23.