1.0 2020-04-06 11:01:00 UTC 2025-11-19 03:10:28 UTC FDB111644 N-Acetyltryptophan C13H14N2O3 246.2619 246.100442324 (2S)-2-[(1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propanoic acid (2S)-2-[(1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propanoic acid CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1 DZTHIGRZJZPRDV-LBPRGKRZSA-N belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-acyl-L-alpha-amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 3-alkylindoles Acetamides Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Indolyl carboxylic acids and derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Substituted pyrroles 3-alkylindole Acetamide Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Secondary carboxylic acid amide Substituted pyrrole L-tryptophan derivative N-acetyl-L-amino acid logp 1.45 ALOGPS logs -2.70 ALOGPS solubility 4.93e-01 g/l ALOGPS logp 1.81 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic 1.52 ChemAxon iupac (2S)-2-[(1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propanoic acid ChemAxon average_mass 246.2619 ChemAxon mono_mass 246.100442324 ChemAxon smiles CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O ChemAxon formula C13H14N2O3 ChemAxon inchi InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1 ChemAxon inchikey DZTHIGRZJZPRDV-LBPRGKRZSA-N ChemAxon polar_surface_area 85.68 ChemAxon refractivity 66.17 ChemAxon polarizability 25.25 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Metabolism and Physiological Effects of N-Acetyltryptophan SMP0126721 Specdb::CMs 1950 Specdb::CMs 1979 Specdb::CMs 13933 Specdb::CMs 31577 Specdb::CMs 31578 Specdb::CMs 40175 Specdb::CMs 145834 Specdb::MsMs 56169 Specdb::MsMs 56170 Specdb::MsMs 56171 Specdb::MsMs 111525 Specdb::MsMs 111526 Specdb::MsMs 111527 Specdb::MsMs 2236563 Specdb::MsMs 2236835 Specdb::MsMs 2239965 Specdb::MsMs 2241766 Specdb::MsMs 2242046 Specdb::MsMs 2243801 Specdb::MsMs 2244798 Specdb::MsMs 2245302 Specdb::MsMs 2246934 Specdb::MsMs 2247372 Specdb::MsMs 2249045 Specdb::MsMs 2249329 Specdb::MsMs 2251046 Specdb::MsMs 2251379 Specdb::MsMs 2725637 Specdb::MsMs 2725638 Specdb::MsMs 2725639 Specdb::MsMs 2956647 Specdb::MsMs 2956648 HMDB0013713 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823