1.0 2010-04-08 22:13:29 UTC 2019-11-26 03:15:39 UTC FDB018065 L-N-(1H-Indol-3-ylacetyl)aspartic acid Constituent of many plant subspecies including soybean Glycine max. Metabolite of 1H-Indole-3-acetic acid <ht>BNC14-M</ht> in plant tissues. L-N-(1H-Indol-3-ylacetyl)aspartic acid is found in pulses, garden tomato (variety), and opium poppy. (Indole-3-acetyl)aspartic acid (Indoleacetyl)aspartic acid 3-Indolylacetyl-L-aspartic acid Aspartic acid, N-(indol-3-ylacetyl)- (7CI) Aspartic acid, N-(indol-3-ylacetyl)-, L- (8CI) Indole-3-acetyl-L-aspartic acid Indole-3-acetylasparaginic acid Indoleacetylaspartate Indolyl-3-aspartic acid L-aspartic acid, N-(1H-indol-3-ylacetyl)- L-Aspartic acid, N-indol-3-ylacetyl- (6CI) N-(1H-indol-3-Ylacetyl)-L-aspartic acid N-(1H-Indol-3-ylacetyl)aspartic acid, 9CI; L-form C14H14N2O5 290.2714 290.090271568 2-[2-(1H-indol-3-yl)acetamido]butanedioic acid 2-[2-(1H-indol-3-yl)acetamido]butanedioic acid 2456-73-7 OC(=O)CC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21) VAFNMNRKDDAKRM-UHFFFAOYSA-N belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Aspartic acid and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 3-alkylindoles Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Aspartic acid or derivatives Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives N-acyl-alpha amino acid or derivatives N-acyl-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 aspartic acid derivative logp 1.04 ALOGPS logs -3.10 ALOGPS solubility 2.28e-01 g/l ALOGPS melting_point Mp 164.5° dec. logp 0.53 ChemAxon pka_strongest_acidic 3.74 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2-[2-(1H-indol-3-yl)acetamido]butanedioic acid ChemAxon average_mass 290.2714 ChemAxon mono_mass 290.090271568 ChemAxon smiles OC(=O)CC(NC(=O)CC1=CNC2=C1C=CC=C2)C(O)=O ChemAxon formula C14H14N2O5 ChemAxon inchi InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21) ChemAxon inchikey VAFNMNRKDDAKRM-UHFFFAOYSA-N ChemAxon polar_surface_area 119.49 ChemAxon refractivity 71.78 ChemAxon polarizability 28.18 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2076 Specdb::CMs 22101 Specdb::CMs 31657 Specdb::CMs 45964 Specdb::CMs 152403 Specdb::MsMs 9128 Specdb::MsMs 9129 Specdb::MsMs 9130 Specdb::MsMs 15800 Specdb::MsMs 15801 Specdb::MsMs 15802 Specdb::MsMs 447834 Specdb::MsMs 2706869 Specdb::MsMs 2706870 Specdb::MsMs 2706871 Specdb::MsMs 2998031 Specdb::MsMs 2998032 Specdb::MsMs 2998033 HMDB38666 #<Reference:0x000055ce30442218> Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Opium poppy Type 1 specific Papaver somniferum 3469 Pulses Unknown generic