1.0 2016-09-30 22:38:42 UTC 2020-04-22 15:05:59 UTC BMDB0000927 BMDB00927 Valerylglycine N-N-Valerylglycine N-Pentanoylglycine N-Valeryl-glycine 2-[(1-Hydroxypentylidene)amino]acetate C7H13NO3 159.183 159.089543287 2-pentanamidoacetic acid valerylglycine 24003-66-5 CCCCC(=O)NCC(O)=O InChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11) NYZBWOSRZJKQAI-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-alpha amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic 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 Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp 0.39 ALOGPS logs -1.35 ALOGPS logp 0.26 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 2-pentanamidoacetic acid ChemAxon average_mass 159.183 ChemAxon mono_mass 159.089543287 ChemAxon smiles CCCCC(=O)NCC(O)=O ChemAxon formula C7H13NO3 ChemAxon inchi InChI=1S/C7H13NO3/c1-2-3-4-6(9)8-5-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11) ChemAxon inchikey NYZBWOSRZJKQAI-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 39.28 ChemAxon polarizability 16.67 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::NmrTwoD 1548 Specdb::CMs 17966 Specdb::CMs 37845 Specdb::CMs 137581 Specdb::CMs 145315 Specdb::CMs 1081784 Specdb::CMs 1081786 Specdb::CMs 1081788 Specdb::NmrOneD 1607 Specdb::NmrOneD 7982 Specdb::NmrOneD 7983 Specdb::NmrOneD 7984 Specdb::NmrOneD 7985 Specdb::NmrOneD 7986 Specdb::NmrOneD 7987 Specdb::NmrOneD 7988 Specdb::NmrOneD 7989 Specdb::NmrOneD 7990 Specdb::NmrOneD 7991 Specdb::NmrOneD 7992 Specdb::NmrOneD 7993 Specdb::NmrOneD 7994 Specdb::NmrOneD 7995 Specdb::NmrOneD 7996 Specdb::NmrOneD 7997 Specdb::NmrOneD 7998 Specdb::NmrOneD 7999 Specdb::NmrOneD 8000 Specdb::NmrOneD 8001 Specdb::MsIr 969 Specdb::MsIr 970 Specdb::MsIr 971 Specdb::MsMs 1318 Specdb::MsMs 1319 Specdb::MsMs 1320 Specdb::MsMs 305803 Specdb::MsMs 305804 Specdb::MsMs 305805 Specdb::MsMs 349288 Specdb::MsMs 349289 Specdb::MsMs 349290 Specdb::MsMs 2797724 Specdb::MsMs 2797725 Specdb::MsMs 2797726 Specdb::MsMs 2880791 Specdb::MsMs 2880792 Specdb::MsMs 2880793 FDB022321 4737557 3924818 5878 Katz, J.; Lieberman, I.; Barker, H. A. Formation of propionyl-, butyryl-, and other acylglycines by enzymes of Clostridium kluyveri. Journal of Biological Chemistry (1953), 200 431-41.