1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:38 UTC FDB011870 (S)-2-Methylbutanoic acid Isolated from many essential oils and other biol. sources. (S)-2-Methylbutanoic acid is found in fats and oils. (+)-(S)-2-Methylbutanoic acid (+)-2-Methylbutanoic acid (+)-2-Methylbutyric acid (+)-alpha-Methylbutyric acid (2S)-2-Methylbutanoic acid (S)-(+)-2-Methylbutyric acid (S)-2-Methylbutanoate (S)-2-Methylbutanoic acid (S)-2-Methylbutyric acid (S)-a-Methylbutanoate (S)-a-Methylbutanoic acid (S)-alpha-Methylbutanoate (S)-alpha-Methylbutanoic acid (S)-α-methylbutanoate (S)-α-methylbutanoic acid 2-Methyl-(2S)-butanoic acid 2-Methyl-(S)-butanoic acid Butanoic acid, 2-methyl-, (2S)- Butanoic acid, 2-methyl-, (S)- Butyric acid, 2-methyl-, (S)- (8CI) Butyric acid, 2-methyl-, L- (6CI) S-(+)-2-Methylbutanoic acid C5H10O2 102.1317 102.068079564 (2S)-2-methylbutanoic acid (S)-2-methylbutanoic acid 1730-91-2 CC[C@H](C)C(O)=O InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1 WLAMNBDJUVNPJU-BYPYZUCNSA-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. Methyl-branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds 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 2-methylbutyric acid logp 1.47 ALOGPS logs -0.25 ALOGPS solubility 5.72e+01 g/l ALOGPS logp 1.46 ChemAxon pka_strongest_acidic 4.97 ChemAxon iupac (2S)-2-methylbutanoic acid ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CC[C@H](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)/t4-/m0/s1 ChemAxon inchikey WLAMNBDJUVNPJU-BYPYZUCNSA-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 Specdb::CMs 26321 Specdb::CMs 43477 Specdb::CMs 132268 Specdb::CMs 140002 Specdb::NmrOneD 121938 Specdb::NmrOneD 121939 Specdb::NmrOneD 121940 Specdb::NmrOneD 121941 Specdb::NmrOneD 121942 Specdb::NmrOneD 121943 Specdb::NmrOneD 121944 Specdb::NmrOneD 121945 Specdb::NmrOneD 121946 Specdb::NmrOneD 121947 Specdb::NmrOneD 121948 Specdb::NmrOneD 121949 Specdb::NmrOneD 121950 Specdb::NmrOneD 121951 Specdb::NmrOneD 121952 Specdb::NmrOneD 121953 Specdb::NmrOneD 121954 Specdb::NmrOneD 121955 Specdb::NmrOneD 121956 Specdb::NmrOneD 121957 Specdb::MsMs 57213 Specdb::MsMs 57214 Specdb::MsMs 57215 Specdb::MsMs 112821 Specdb::MsMs 112822 Specdb::MsMs 112823 Specdb::MsMs 2275317 Specdb::MsMs 2275318 Specdb::MsMs 2275319 Specdb::MsMs 3092821 Specdb::MsMs 3092822 Specdb::MsMs 3092823 HMDB33742 38655 SMB #<Reference:0x000055ce30bbaab8> Fats and oils Unknown generic