1.0 2010-04-08 22:13:14 UTC 2025-11-19 01:56:09 UTC FDB017673 alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid Constituent of the skins of peanuts (Arachis hypogaea). alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid is found in nuts. 2-Hydroxy-3-(1-methylindolyl)propanoic acid a-Hydroxy-1-methyl-1H-indole-3-propanoic acid C12H13NO3 219.2365 219.089543287 2-hydroxy-3-(1-methyl-1H-indol-3-yl)propanoic acid 2-hydroxy-3-(1-methylindol-3-yl)propanoic acid CN1C=C(CC(O)C(O)=O)C2=CC=CC=C12 InChI=1S/C12H13NO3/c1-13-7-8(6-11(14)12(15)16)9-4-2-3-5-10(9)13/h2-5,7,11,14H,6H2,1H3,(H,15,16) ICSFHZYTTBEENT-UHFFFAOYSA-N belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. Indolyl carboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives Aromatic heteropolycyclic compounds 3-alkylindoles Alpha hydroxy acids and derivatives Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-alkylindoles N-methylpyrroles Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols 3-alkylindole Alcohol Alpha-hydroxy acid Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Indole Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-alkylindole N-methylpyrrole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Secondary alcohol Substituted pyrrole logp 1.44 ALOGPS logs -2.36 ALOGPS solubility 9.56e-01 g/l ALOGPS melting_point Mp 216° dec. logp 1.51 ChemAxon pka_strongest_acidic 4.19 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 2-hydroxy-3-(1-methyl-1H-indol-3-yl)propanoic acid ChemAxon average_mass 219.2365 ChemAxon mono_mass 219.089543287 ChemAxon smiles CN1C=C(CC(O)C(O)=O)C2=CC=CC=C12 ChemAxon formula C12H13NO3 ChemAxon inchi InChI=1S/C12H13NO3/c1-13-7-8(6-11(14)12(15)16)9-4-2-3-5-10(9)13/h2-5,7,11,14H,6H2,1H3,(H,15,16) ChemAxon inchikey ICSFHZYTTBEENT-UHFFFAOYSA-N ChemAxon polar_surface_area 62.46 ChemAxon refractivity 59.44 ChemAxon polarizability 22.86 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9803 Specdb::CMs 45771 Specdb::CMs 132881 Specdb::CMs 140615 Specdb::MsMs 7148 Specdb::MsMs 7149 Specdb::MsMs 7150 Specdb::MsMs 13820 Specdb::MsMs 13821 Specdb::MsMs 13822 Specdb::MsMs 2843334 Specdb::MsMs 2843335 Specdb::MsMs 2843336 Specdb::MsMs 2865927 Specdb::MsMs 2865928 Specdb::MsMs 2865929 HMDB38338 #<Reference:0x000055ce324f9fd8> Nuts Unknown generic