1.0 2020-03-03 19:28:21 UTC 2020-04-22 15:55:44 UTC BMDB0063887 BMDB63887 Glycyl-Glutamate Glycyl-glutamic acid g-e Dipeptide GE dipeptide Gly-glu Glycine glutamate dipeptide Glycine-glutamate dipeptide Glycylglutamate L-Glycyl-L-glutamate N-Glycylglutamic acid 2-[(2-Amino-1-hydroxyethylidene)amino]pentanedioate C7H12N2O5 204.182 204.074621494 2-(2-aminoacetamido)pentanedioic acid 2-(2-aminoacetamido)pentanedioic acid NCC(=O)NC(CCC(O)=O)C(O)=O InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14) IEFJWDNGDZAYNZ-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Glutamic acid and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Glutamic acid or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds logp -3.54 ALOGPS logs -0.85 ALOGPS logp -4.6 ChemAxon pka_strongest_acidic 3.17 ChemAxon pka_strongest_basic 8.14 ChemAxon iupac 2-(2-aminoacetamido)pentanedioic acid ChemAxon average_mass 204.182 ChemAxon mono_mass 204.074621494 ChemAxon smiles NCC(=O)NC(CCC(O)=O)C(O)=O ChemAxon formula C7H12N2O5 ChemAxon inchi InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14) ChemAxon inchikey IEFJWDNGDZAYNZ-UHFFFAOYSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 44.09 ChemAxon polarizability 18.78 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 3317 Specdb::MsIr 3318 Specdb::MsIr 3319 Specdb::CMs 112756 Specdb::CMs 126305 Specdb::CMs 169803 Specdb::CMs 903673 Specdb::CMs 903674 Specdb::CMs 903675 Specdb::CMs 903676 Specdb::CMs 903677 Specdb::CMs 903678 Specdb::CMs 903679 Specdb::CMs 903680 Specdb::CMs 903681 Specdb::CMs 903682 Specdb::CMs 903683 Specdb::CMs 903684 Specdb::CMs 903685 Specdb::CMs 903686 Specdb::CMs 903687 Specdb::CMs 903688 Specdb::CMs 903689 Specdb::CMs 903690 Specdb::CMs 903691 Specdb::CMs 903692 Specdb::CMs 903693 Specdb::CMs 903694 Specdb::MsMs 1289089 Specdb::MsMs 1289090 Specdb::MsMs 1289091 Specdb::MsMs 1403836 Specdb::MsMs 1403837 Specdb::MsMs 1403838 Specdb::MsMs 3223615 Specdb::MsMs 3223616 Specdb::MsMs 3223617 Specdb::MsMs 3223618 Specdb::MsMs 3223619 Specdb::MsMs 3223620 Specdb::NmrOneD 155350 Specdb::NmrOneD 155351 Specdb::NmrOneD 155352 Specdb::NmrOneD 155353 Specdb::NmrOneD 155354 Specdb::NmrOneD 155355 Specdb::NmrOneD 155356 Specdb::NmrOneD 155357 Specdb::NmrOneD 155358 Specdb::NmrOneD 155359 Specdb::NmrOneD 155360 Specdb::NmrOneD 155361 Specdb::NmrOneD 155362 Specdb::NmrOneD 155363 Specdb::NmrOneD 155364 Specdb::NmrOneD 155365 Specdb::NmrOneD 155366 Specdb::NmrOneD 155367 Specdb::NmrOneD 155368 Specdb::NmrOneD 155369 FDB111879 270614 306108 193748