1.0 2026-09-21 19:46:56 UTC 2026-09-21 19:46:56 UTC FDB116990 Hypaphorine (2S)-3-(1H-indol-3-yl)-2-(trimethylammonio)propanoate (2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate C14H18N2O2 246.3049 246.13682783 (2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate hypaphorine C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C12)C([O-])=O InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1 AOHCBEAZXHZMOR-ZDUSSCGKSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-alpha-amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 3-alkylindoles Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acid salts Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organopnictogen compounds Substituted pyrroles Tetraalkylammonium salts 3-alkylindole Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid salt Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives L-alpha-amino acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Quaternary ammonium salt Substituted pyrrole Tetraalkylammonium salt tryptamines logp -0.54 ALOGPS logs -5.07 ALOGPS solubility 2.58e-03 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 2.6 ChemAxon iupac (2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate ChemAxon average_mass 246.3049 ChemAxon mono_mass 246.13682783 ChemAxon smiles C[N+](C)(C)[C@@H](CC1=CNC2=CC=CC=C12)C([O-])=O ChemAxon formula C14H18N2O2 ChemAxon inchi InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1 ChemAxon inchikey AOHCBEAZXHZMOR-ZDUSSCGKSA-N ChemAxon polar_surface_area 55.92 ChemAxon refractivity 93.02 ChemAxon polarizability 26.6 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 63712 Specdb::NmrOneD 63713 Specdb::NmrOneD 63714 Specdb::NmrOneD 63715 Specdb::NmrOneD 63716 Specdb::NmrOneD 63717 Specdb::NmrOneD 63718 Specdb::NmrOneD 63719 Specdb::NmrOneD 63720 Specdb::NmrOneD 63721 Specdb::NmrOneD 63722 Specdb::NmrOneD 63723 Specdb::NmrOneD 63724 Specdb::NmrOneD 63725 Specdb::NmrOneD 63726 Specdb::NmrOneD 63727 Specdb::NmrOneD 63728 Specdb::NmrOneD 63729 Specdb::NmrOneD 63730 Specdb::NmrOneD 63731 Specdb::CMs 36815 Specdb::CMs 131872 Specdb::CMs 139606 Specdb::MsMs 917101 Specdb::MsMs 917102 Specdb::MsMs 917103 Specdb::MsMs 965917 Specdb::MsMs 965918 Specdb::MsMs 965919 Specdb::MsMs 2757348 Specdb::MsMs 2757349 Specdb::MsMs 2757350 Specdb::MsMs 2947782 Specdb::MsMs 2947783 Specdb::MsMs 2947784