1.0 2016-09-30 22:29:06 UTC 2020-04-21 18:12:10 UTC BMDB0000351 BMDB00351 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid (2S,3R)-3-Hydroxy-2-methylbutanoate 3-Hydroxy-2-methyl-[R-(r*,s*)]-butanoate 3-Hydroxy-2-methyl-[R-(r*,s*)]-butanoic acid 3-Hydroxy-2-methyl-[R-(R,S)]-butanoate (2S,3R)-3-Hydroxy-2-methylbutyric acid (2S,3R)-Nilic acid 3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid HMBA (2S,3R)-3-Hydroxy-2-methylbutanoic acid C5H10O3 118.1311 118.062994186 (2S,3R)-3-hydroxy-2-methylbutanoic acid (2S,3R)-3-hydroxy-2-methylbutanoic acid 71526-30-2 C[C@@H](O)[C@H](C)C(O)=O InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4+/m0/s1 VEXDRERIMPLZLU-IUYQGCFVSA-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 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 (2S,3R)-3-hydroxy-2-methylbutanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles C[C@@H](O)[C@H](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)/t3-,4+/m0/s1 ChemAxon inchikey VEXDRERIMPLZLU-IUYQGCFVSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 28.04 ChemAxon polarizability 11.76 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 564 Specdb::MsMs 565 Specdb::MsMs 566 Specdb::MsMs 291424 Specdb::MsMs 291425 Specdb::MsMs 291426 Specdb::MsMs 331327 Specdb::MsMs 331328 Specdb::MsMs 331329 Specdb::MsMs 2717910 Specdb::MsMs 2717911 Specdb::MsMs 2717912 Specdb::MsMs 2964042 Specdb::MsMs 2964043 Specdb::MsMs 2964044 Specdb::MsIr 442 Specdb::MsIr 443 Specdb::MsIr 444 Specdb::CMs 11523 Specdb::CMs 37455 Specdb::CMs 166265 Specdb::CMs 1059290 Specdb::CMs 1059292 Specdb::CMs 1059293 Specdb::CMs 1059295 Specdb::CMs 1059297 Specdb::NmrOneD 143650 Specdb::NmrOneD 143651 Specdb::NmrOneD 143652 Specdb::NmrOneD 143653 Specdb::NmrOneD 143654 Specdb::NmrOneD 143655 Specdb::NmrOneD 143656 Specdb::NmrOneD 143657 Specdb::NmrOneD 143658 Specdb::NmrOneD 143659 Specdb::NmrOneD 143660 Specdb::NmrOneD 143661 Specdb::NmrOneD 143662 Specdb::NmrOneD 143663 Specdb::NmrOneD 143664 Specdb::NmrOneD 143665 Specdb::NmrOneD 143666 Specdb::NmrOneD 143667 Specdb::NmrOneD 143668 Specdb::NmrOneD 143669 FDB021974 13628066 12313370 5340 Neri, Claudia; Williams, Jonathan M. J. Racemic auxiliaries: applications to asymmetric synthesis. Tetrahedron Letters (2002), 43(23), 4257-4260.