1.0 2010-04-08 22:13:14 UTC 2025-11-19 01:56:10 UTC FDB017674 alpha-Methoxy-1H-indole-3-propanoic acid Constituent of the skins of peanuts (Arachis hypogaea). alpha-Methoxy-1H-indole-3-propanoic acid is found in nuts. 2-Methoxy-3-(3-indolyl)propanoic acid a-Methoxy-1H-indole-3-propanoic acid C12H13NO3 219.2365 219.089543287 3-(1H-indol-3-yl)-2-methoxypropanoic acid 3-(1H-indol-3-yl)-2-methoxypropanoic acid COC(CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C12H13NO3/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15) WTRLCCDSRUPILA-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 3-alkylindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dialkyl ethers Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 2.01 ALOGPS logs -2.46 ALOGPS solubility 7.65e-01 g/l ALOGPS melting_point Mp 252° dec. logp 1.93 ChemAxon pka_strongest_acidic 4.2 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-(1H-indol-3-yl)-2-methoxypropanoic acid ChemAxon average_mass 219.2365 ChemAxon mono_mass 219.089543287 ChemAxon smiles COC(CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C12H13NO3 ChemAxon inchi InChI=1S/C12H13NO3/c1-16-11(12(14)15)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6H2,1H3,(H,14,15) ChemAxon inchikey WTRLCCDSRUPILA-UHFFFAOYSA-N ChemAxon polar_surface_area 62.32 ChemAxon refractivity 59.3 ChemAxon polarizability 22.56 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10921 Specdb::CMs 45772 Specdb::CMs 155190 Specdb::MsMs 62355 Specdb::MsMs 62356 Specdb::MsMs 62357 Specdb::MsMs 119058 Specdb::MsMs 119059 Specdb::MsMs 119060 Specdb::MsMs 2349562 Specdb::MsMs 2349563 Specdb::MsMs 2349564 Specdb::MsMs 2589205 Specdb::MsMs 2589206 Specdb::MsMs 2589207 HMDB38339 #<Reference:0x000055ce323703b0> Nuts Unknown generic