1.0 2020-03-03 19:33:51 UTC 2020-04-22 15:56:21 UTC BMDB0063982 BMDB63982 Lysylglycine K-G KG L-Lys-gly K-g Dipeptide KG Dipeptide L-Lysyllycine Lys-gly Lysine glycine dipeptide Lysine-glycine dipeptide Lysyl-glycine N-L-Lysyllycine N-Lysylglycine Lysylglycine C8H17N3O3 203.242 203.126991419 2-[(2S)-2,6-diaminohexanamido]acetic acid [(2S)-2,6-diaminohexanamido]acetic acid 7563-03-3 NCCCC[C@H](N)C(=O)NCC(O)=O InChI=1S/C8H17N3O3/c9-4-2-1-3-6(10)8(14)11-5-7(12)13/h6H,1-5,9-10H2,(H,11,14)(H,12,13)/t6-/m0/s1 HGNRJCINZYHNOU-LURJTMIESA-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 Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines 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 Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine 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 dipeptide logp -3.35 ALOGPS logs -1.26 ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 3.68 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac 2-[(2S)-2,6-diaminohexanamido]acetic acid ChemAxon average_mass 203.242 ChemAxon mono_mass 203.126991419 ChemAxon smiles NCCCC[C@H](N)C(=O)NCC(O)=O ChemAxon formula C8H17N3O3 ChemAxon inchi InChI=1S/C8H17N3O3/c9-4-2-1-3-6(10)8(14)11-5-7(12)13/h6H,1-5,9-10H2,(H,11,14)(H,12,13)/t6-/m0/s1 ChemAxon inchikey HGNRJCINZYHNOU-LURJTMIESA-N ChemAxon polar_surface_area 118.44 ChemAxon refractivity 50.61 ChemAxon polarizability 21.58 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 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::CMs 130639 Specdb::CMs 138373 Specdb::MsMs 2434705 Specdb::MsMs 2434706 Specdb::MsMs 2434707 Specdb::MsMs 2504348 Specdb::MsMs 2504349 Specdb::MsMs 2504350 Specdb::NmrOneD 106558 Specdb::NmrOneD 106559 Specdb::NmrOneD 106560 Specdb::NmrOneD 106561 Specdb::NmrOneD 106562 Specdb::NmrOneD 106563 Specdb::NmrOneD 106564 Specdb::NmrOneD 106565 Specdb::NmrOneD 106566 Specdb::NmrOneD 106567 Specdb::NmrOneD 106568 Specdb::NmrOneD 106569 Specdb::NmrOneD 106570 Specdb::NmrOneD 106571 Specdb::NmrOneD 106572 Specdb::NmrOneD 106573 Specdb::NmrOneD 106574 Specdb::NmrOneD 106575 Specdb::NmrOneD 106576 Specdb::NmrOneD 106577 FDB111974 5385198 7022320 73604