1.0 2016-09-30 23:00:59 UTC 2020-04-22 15:11:11 UTC BMDB0002601 BMDB02601 A,b-Dihydroxyisobutyric acid 2,3-Dihydroxy-2-methylpropionic acid alpha,beta-Dihydroxyisobutyric acid 2,3-Dihydroxy-2-methylpropionate a,b-Dihydroxyisobutyrate alpha,beta-Dihydroxyisobutyrate Α,β-dihydroxyisobutyrate Α,β-dihydroxyisobutyric acid 2,3-Dihydroxy-2-methyl-propanoate 2,3-Dihydroxy-2-methyl-propanoic acid 2,3-Dihydroxy-2-methylpropanoate 2,3-Dihydroxy-2-methylpropanoic acid 2-C-Methylglycerate 2-C-Methylglyceric acid 2-Methyl-2,3-dihydroxypropionate 2-Methyl-2,3-dihydroxypropionic acid 2-Methylglycerate 2-Methylglyceric acid 2-Methylglyceronate 2-Methylglyceronic acid a-Methylglycerate a-Methylglyceric acid alpha-Methylglycerate alpha-Methylglyceric acid a,b-Dihydroxyisobutyric acid a,b-Dihydroxy-isobutyrate C4H8O4 120.1039 120.042258744 2,3-dihydroxy-2-methylpropanoic acid 2-methylglyceric acid 21620-60-0 CC(O)(CO)C(O)=O InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7) DGADNPLBVRLJGD-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Beta hydroxy acids and derivatives 1,2-diols Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Tertiary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Tertiary alcohol Aliphatic acyclic compounds Hydroxy fatty acids dihydroxy monocarboxylic acid Solid logp -1.25 ALOGPS logs 0.65 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 3.59 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 2,3-dihydroxy-2-methylpropanoic acid ChemAxon average_mass 120.1039 ChemAxon mono_mass 120.042258744 ChemAxon smiles CC(O)(CO)C(O)=O ChemAxon formula C4H8O4 ChemAxon inchi InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7) ChemAxon inchikey DGADNPLBVRLJGD-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 25.1 ChemAxon polarizability 10.65 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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::CMs 23098 Specdb::CMs 38446 Specdb::CMs 133655 Specdb::CMs 141389 Specdb::MsIr 1803 Specdb::MsIr 1804 Specdb::MsIr 1805 Specdb::MsMs 90702 Specdb::MsMs 90703 Specdb::MsMs 90704 Specdb::MsMs 153924 Specdb::MsMs 153925 Specdb::MsMs 153926 Specdb::MsMs 2707607 Specdb::MsMs 2707608 Specdb::MsMs 2707609 Specdb::MsMs 3000727 Specdb::MsMs 3000728 Specdb::MsMs 3000729 487503 FDB023033 560781 36532 6723