1.0 2020-03-10 17:00:23 UTC 2020-04-22 18:55:45 UTC BMDB0096050 BMDB96050 Indoleacetyl glutamine 3-IAA glutamine Indole-3-acetyl-glutamine N-Indoleacetylglutamine (1H-indol-3-yl)-Acetate glutamine (1H-indol-3-yl)-Acetic acid glutamine 1H-indol-3-Ylacetate glutamine 1H-indol-3-Ylacetic acid glutamine 1H-Indole-3-acetate glutamine 1H-Indole-3-acetic acid glutamine 2-(1H-indol-3-yl)Acetate glutamine 2-(1H-indol-3-yl)Acetic acid glutamine 2-(3-Indolyl)acetate glutamine 2-(3-Indolyl)acetic acid glutamine 3-(Carboxymethyl)indole glutamine 3-Indole-acetic acid glutamine 3-Indoleacetate glutamine 3-Indoleacetic acid glutamine 3-Indolylacetate glutamine 3-Indolylacetic acid glutamine b-Indoleacetate glutamine b-Indoleacetic acid glutamine b-Indolylacetate glutamine b-Indolylacetic acid glutamine beta-Indole-3-acetic acid glutamine beta-Indoleacetate glutamine beta-Indoleacetic acid glutamine beta-Indolylacetate glutamine beta-Indolylacetic acid glutamine Heteroauxin glutamine indol-3-Ylacetate glutamine indol-3-Ylacetic acid glutamine Indole-3-acetate glutamine Indole-3-acetic acid glutamine Indole-3-acetic-acid-O-glutamine Indoleacetate glutamine Indoleacetic acid glutamine Indolyl-3-acetate glutamine Indolyl-3-acetic acid glutamine Indolylacetate glutamine Indolylacetic acid glutamine Kyselina 3-indolyloctova glutamine C15H17N3O4 303.3132 303.121906047 4-carbamoyl-2-[2-(1H-indol-3-yl)acetamido]butanoic acid 4-carbamoyl-2-[2-(1H-indol-3-yl)acetamido]butanoic acid 6899-04-3 NC(=O)CCC(NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22) DVJIJAYHBZALOJ-UHFFFAOYSA-N belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamine and derivatives 3-alkylindoles Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acids Fatty amides Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Secondary carboxylic acid amides Substituted pyrroles 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Glutamine or derivatives Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Monocarboxylic acid 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 Primary carboxylic acid amide Pyrrole Secondary carboxylic acid amide Substituted pyrrole Aromatic heteropolycyclic compounds N(2)-acylglutamine logp 0.42 ALOGPS logs -2.98 ALOGPS logp 0.013 ChemAxon pka_strongest_acidic 3.94 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac 4-carbamoyl-2-[2-(1H-indol-3-yl)acetamido]butanoic acid ChemAxon average_mass 303.3132 ChemAxon mono_mass 303.121906047 ChemAxon smiles NC(=O)CCC(NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C15H17N3O4 ChemAxon inchi InChI=1S/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22) ChemAxon inchikey DVJIJAYHBZALOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 125.28 ChemAxon refractivity 78.36 ChemAxon polarizability 30.55 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 4 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 20557 Specdb::CMs 40092 Specdb::CMs 163601 Specdb::MsMs 88158 Specdb::MsMs 88159 Specdb::MsMs 88160 Specdb::MsMs 150840 Specdb::MsMs 150841 Specdb::MsMs 150842 Specdb::MsMs 2757402 Specdb::MsMs 2757403 Specdb::MsMs 2757404 Specdb::MsMs 2947749 Specdb::MsMs 2947750 Specdb::MsMs 2947751 FDB029352 28533316 25200879 70811