1.0 2020-03-10 17:00:43 UTC 2020-04-22 18:55:52 UTC BMDB0096071 BMDB96071 Tryptophanamide (S)-alpha-amino-1H-Indole-3-propionamide 2-amino-3-(3-Indolyl)-propanamide alpha-amino-(S)-1H-Indole-3-propanamide alpha-amino-1H-Indole-3-propanamide L-Tryptophanamide Tryptophanamide, (S)-isomer Tryptophanamide monohydrochloride, (S)-isomer Tryptophanamide, (+-)-isomer 2-Amino-3-(1H-indol-3-yl)propanimidate C11H13N3O 203.2404 203.105862053 2-amino-3-(1H-indol-3-yl)propanamide tryptophan amide 20696-57-5 NC(CC1=CNC2=CC=CC=C12)C(N)=O InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15) JLSKPBDKNIXMBS-UHFFFAOYSA-N belongs to the class of organic compounds known as tryptamines and derivatives. Tryptamines and derivatives are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. Organic compounds Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives Tryptamines and derivatives 3-alkylindoles Alpha amino acid amides Aralkylamines Azacyclic compounds Benzenoids Carbonyl compounds Fatty amides Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Primary carboxylic acid amides Substituted pyrroles 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative Indole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Pyrrole Substituted pyrrole Triptan Aromatic heteropolycyclic compounds logp 0.35 ALOGPS logs -1.89 ALOGPS logp 0.37 ChemAxon pka_strongest_acidic 15.95 ChemAxon pka_strongest_basic 7.97 ChemAxon iupac 2-amino-3-(1H-indol-3-yl)propanamide ChemAxon average_mass 203.2404 ChemAxon mono_mass 203.105862053 ChemAxon smiles NC(CC1=CNC2=CC=CC=C12)C(N)=O ChemAxon formula C11H13N3O ChemAxon inchi InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15) ChemAxon inchikey JLSKPBDKNIXMBS-UHFFFAOYSA-N ChemAxon polar_surface_area 84.9 ChemAxon refractivity 58.02 ChemAxon polarizability 21.61 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25023 Specdb::CMs 134861 Specdb::CMs 142595 Specdb::MsMs 65532 Specdb::MsMs 65533 Specdb::MsMs 65534 Specdb::MsMs 122943 Specdb::MsMs 122944 Specdb::MsMs 122945 Specdb::MsMs 2721750 Specdb::MsMs 2721751 Specdb::MsMs 2721752 Specdb::MsMs 2961030 Specdb::MsMs 2961031 Specdb::MsMs 2961032 Specdb::MsIr 2904 Specdb::MsIr 2905 Specdb::MsIr 2906 Specdb::NmrOneD 11962 Specdb::NmrOneD 11963 Specdb::NmrOneD 11964 Specdb::NmrOneD 11965 Specdb::NmrOneD 11966 Specdb::NmrOneD 11967 Specdb::NmrOneD 11968 Specdb::NmrOneD 11969 Specdb::NmrOneD 11970 Specdb::NmrOneD 11971 Specdb::NmrOneD 11972 Specdb::NmrOneD 11973 Specdb::NmrOneD 11974 Specdb::NmrOneD 11975 Specdb::NmrOneD 11976 Specdb::NmrOneD 11977 Specdb::NmrOneD 11978 Specdb::NmrOneD 11979 Specdb::NmrOneD 11980 Specdb::NmrOneD 11981 FDB029380 791437 89366 80647 C00977