1.0 2010-04-08 22:05:18 UTC 2020-02-24 19:10:28 UTC FDB002254 N-(Carbomethoxyacetyl)-4-chloro-L-tryptophan Isolated from Pisum sativum (pea). N-(Carbomethoxyacetyl)-4-chloro-L-tryptophan is found in pulses and common pea. N-(Carbomethoxyacetyl)-4-chloro-L-tryptophan C15H15ClN2O5 338.743 338.066949307 3-(4-chloro-1H-indol-3-yl)-2-[(Z)-(1-hydroxy-3-methoxy-3-oxopropylidene)amino]propanoic acid 3-(4-chloro-1H-indol-3-yl)-2-[(Z)-(1-hydroxy-3-methoxy-3-oxopropylidene)amino]propanoic acid COC(=O)C\C(O)=N\C(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O InChI=1S/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22) ITVFBZXHWIFZDX-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 3-alkylindoles Aryl chlorides Azacyclic compounds Benzenoids Carbonyl compounds Carboximidic acids Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Carboxylic acid ester Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Methyl ester N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrole Substituted pyrrole logp 1.83 ALOGPS logs -3.84 ALOGPS solubility 4.87e-02 g/l ALOGPS logp 2.46 ChemAxon pka_strongest_acidic 3.82 ChemAxon pka_strongest_basic 0.45 ChemAxon iupac 3-(4-chloro-1H-indol-3-yl)-2-[(Z)-(1-hydroxy-3-methoxy-3-oxopropylidene)amino]propanoic acid ChemAxon average_mass 338.743 ChemAxon mono_mass 338.066949307 ChemAxon smiles COC(=O)C\C(O)=N\C(CC1=CNC2=CC=CC(Cl)=C12)C(O)=O ChemAxon formula C15H15ClN2O5 ChemAxon inchi InChI=1S/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22) ChemAxon inchikey ITVFBZXHWIFZDX-UHFFFAOYSA-N ChemAxon polar_surface_area 111.98 ChemAxon refractivity 82.09 ChemAxon polarizability 32.1 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11208 Specdb::CMs 41905 Specdb::CMs 131209 Specdb::CMs 138943 Specdb::MsMs 62523 Specdb::MsMs 62524 Specdb::MsMs 62525 Specdb::MsMs 119268 Specdb::MsMs 119269 Specdb::MsMs 119270 Specdb::MsMs 2304012 Specdb::MsMs 2304013 Specdb::MsMs 2304014 Specdb::MsMs 2658244 Specdb::MsMs 2658245 Specdb::MsMs 2658246 HMDB30398 #<Reference:0x000055ce321e5680> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic