1.0 2016-09-30 22:52:02 UTC 2020-04-22 15:10:00 UTC BMDB0002171 BMDB02171 Glycylprolylhydroxyproline g-p-Hyp Gly-L-pro-L-hyp GP-Hyp C12H19N3O5 285.2964 285.132470733 (2S)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-3-hydroxypyrrolidine-2-carboxylic acid glycylprolylhydroxyproline NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O InChI=1S/C12H19N3O5/c13-6-9(17)14-4-1-2-7(14)11(18)15-5-3-8(16)10(15)12(19)20/h7-8,10,16H,1-6,13H2,(H,19,20)/t7-,8?,10-/m0/s1 HVIBGVJOBJJPFB-OFQRNFBNSA-N belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Methyl-branched fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Branched fatty acids methylbutyric acid Solid logp -2.48 ALOGPS logs -0.50 ALOGPS logp -5.1 ChemAxon pka_strongest_acidic 3.43 ChemAxon pka_strongest_basic 7.83 ChemAxon iupac (2S)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-3-hydroxypyrrolidine-2-carboxylic acid ChemAxon average_mass 285.2964 ChemAxon mono_mass 285.132470733 ChemAxon smiles NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O ChemAxon formula C12H19N3O5 ChemAxon inchi InChI=1S/C12H19N3O5/c13-6-9(17)14-4-1-2-7(14)11(18)15-5-3-8(16)10(15)12(19)20/h7-8,10,16H,1-6,13H2,(H,19,20)/t7-,8?,10-/m0/s1 ChemAxon inchikey HVIBGVJOBJJPFB-OFQRNFBNSA-N ChemAxon polar_surface_area 124.17 ChemAxon refractivity 67.29 ChemAxon polarizability 27.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 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::MsMs 298090 Specdb::MsMs 298091 Specdb::MsMs 298092 Specdb::MsMs 339784 Specdb::MsMs 339785 Specdb::MsMs 339786 Specdb::CMs 14534 Specdb::CMs 38296 FDB022883 21252274 74135