1.0 2016-06-03 12:13:52 UTC 2026-08-30 23:34:32 UTC diethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate SmallMolecule diethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 510.56 g/mol, diethyl N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate is a heavy molecule. This organic compound has the chemical formula C24H30N8O5. It is found in or released from drinking water and water supply, specifically drinking water. The recorded exposure route for this substance is oral. C24H30N8O5 510.555 510.233916098 1,5-diethyl (2S)-2-[(4-{[(4-amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioate 1,5-diethyl (2S)-2-[(4-{[(4-amino-2-imino-3H-pteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioate 43170-88-3 [H][C@@](CCC(=O)OCC)(NC(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)NC(=N)N=C2N=C1)C(=O)OCC InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1 MZRRIAJJDAPQRO-KRWDZBQOSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamic acid and derivatives Alpha amino acid esters Aminobenzamides Aminopyrimidines and derivatives Aniline and substituted anilines Aralkylamines Azacyclic compounds Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Dialkylarylamines Dicarboxylic acids and derivatives Fatty acid esters Heteroaromatic compounds Hippuric acids and derivatives Hydrocarbon derivatives Imidolactams N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Primary amines Pteridines and derivatives Pyrazines Secondary carboxylic acid amides Alpha-amino acid ester Amine Aminobenzamide Aminobenzoic acid or derivatives Aminopyrimidine Aniline or substituted anilines Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzamide Benzenoid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxamide group Carboxylic acid ester Dialkylarylamine Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Glutamic acid or derivatives Heteroaromatic compound Hippuric acid or derivatives Hydrocarbon derivative Imidolactam Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pteridine Pyrazine Pyrimidine Secondary carboxylic acid amide Tertiary aliphatic/aromatic amine Tertiary amine Aromatic heteropolycyclic compounds Detected and Not Quantified logp 1 logp 1.31 ALOGPS logs -3.63 ALOGPS solubility 1.20e-01 g/l ALOGPS logp 0.54 ChemAxon pka_strongest_acidic 9.62 ChemAxon pka_strongest_basic 0.26 ChemAxon iupac 1,5-diethyl (2S)-2-[(4-{[(4-amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioate ChemAxon average_mass 510.555 ChemAxon mono_mass 510.233916098 ChemAxon smiles [H][C@@](CCC(=O)OCC)(NC(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)NC(=N)N=C2N=C1)C(=O)OCC ChemAxon formula C24H30N8O5 ChemAxon inchi InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1 ChemAxon inchikey MZRRIAJJDAPQRO-KRWDZBQOSA-N ChemAxon polar_surface_area 183.92 ChemAxon refractivity 156.61 ChemAxon polarizability 53.72 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7289c95650> 94528 85304