1.0 2016-09-30 22:29:10 UTC 2020-04-22 15:03:07 UTC BMDB0000354 BMDB00354 2-Methyl-3-hydroxybutyric acid 2-Methyl-3-hydroxybutanoic acid 3-Hydroxy-2-methylbutyric acid 2-Methyl-3-hydroxybutanoate 3-Hydroxy-2-methylbutyrate 2-Methyl-3-hydroxybutyrate 3-Hydroxy-2-methyl-butyrate 3-Hydroxy-2-methyl-butyric acid 3-Hydroxy-2-methylbutanoate 3-Hydroxy-2-methylbutanoic acid a-Methyl-b-hydroxybutyrate a-Methyl-b-hydroxybutyric acid alpha-Methyl-beta-hydroxybutyrate alpha-Methyl-beta-hydroxybutyric acid Nilate Nilic acid 2-Methyl-3-hydroxybutyric acid, (R-(r*,s*))-isomer C5H10O3 118.1311 118.062994186 3-hydroxy-2-methylbutanoic acid nilic acid 473-86-9 CC(O)C(C)C(O)=O InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8) VEXDRERIMPLZLU-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Beta-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds 3-hydroxy monocarboxylic acid Hydroxy fatty acids Solid logp -0.13 ALOGPS logs 0.45 ALOGPS logp 0.16 ChemAxon pka_strongest_acidic 4.51 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxy-2-methylbutanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles CC(O)C(C)C(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8) ChemAxon inchikey VEXDRERIMPLZLU-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 28.04 ChemAxon polarizability 11.83 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::MsMs 8060 Specdb::MsMs 8061 Specdb::MsMs 8062 Specdb::MsMs 14732 Specdb::MsMs 14733 Specdb::MsMs 14734 Specdb::MsMs 2249514 Specdb::MsMs 2780485 Specdb::MsMs 2780486 Specdb::MsMs 2780487 Specdb::MsMs 2925745 Specdb::MsMs 2925746 Specdb::MsMs 2925747 Specdb::CMs 15333 Specdb::CMs 37458 Specdb::CMs 137559 Specdb::CMs 145293 Specdb::CMs 1059347 Specdb::CMs 1059349 Specdb::CMs 1059350 Specdb::CMs 1059352 Specdb::CMs 1059354 FDB021977 141015 37051 160471 3786 Inoue, Yoshio; Sano, Fumitaka; Nakamura, Kazuhiro; Yoshie, Naoko; Saito, Yuji; Satoh, Hiroyasu; Mino, Takashi; Matsuo, Tomonori; Doi, Yoshiharu. Microstructure of copoly(3-hydroxyalkanoates) produced in the anaerobic-aerobic activated sludge process. Polymer International (1996), 39(3), 183-9.