1.0 2016-09-30 22:36:29 UTC 2020-05-05 18:37:23 UTC BMDB0000783 BMDB00783 Propionylglycine 2-Propanamidoacetic acid N-Propionyl-glycine N-Propionylglycine Propanamidoacetic acid Propanoylglycine Propionylaminoacetic acid 2-Propanamidoacetate Propanamidoacetate Propionylaminoacetate C5H9NO3 131.1299 131.058243159 2-propanamidoacetic acid propionylglycine 21709-90-0 CCC(=O)NCC(O)=O InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) WOMAZEJKVZLLFE-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 Carboximidic acids Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds Solid logp -0.44 ALOGPS logs -0.59 ALOGPS logp -0.63 ChemAxon pka_strongest_acidic 3.93 ChemAxon pka_strongest_basic -2 ChemAxon iupac 2-propanamidoacetic acid ChemAxon average_mass 131.1299 ChemAxon mono_mass 131.058243159 ChemAxon smiles CCC(=O)NCC(O)=O ChemAxon formula C5H9NO3 ChemAxon inchi InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) ChemAxon inchikey WOMAZEJKVZLLFE-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 30.07 ChemAxon polarizability 12.6 ChemAxon rotatable_bond_count 3 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::MsIr 852 Specdb::MsIr 853 Specdb::MsIr 854 Specdb::NmrTwoD 1484 Specdb::CMs 12218 Specdb::CMs 37761 Specdb::CMs 161467 Specdb::CMs 1076066 Specdb::CMs 1076067 Specdb::CMs 1076069 Specdb::MsMs 1116 Specdb::MsMs 1117 Specdb::MsMs 1118 Specdb::MsMs 292918 Specdb::MsMs 292919 Specdb::MsMs 292920 Specdb::MsMs 333250 Specdb::MsMs 333251 Specdb::MsMs 333252 Specdb::MsMs 2244413 Specdb::MsMs 2245711 Specdb::MsMs 2246542 Specdb::MsMs 2247727 Specdb::MsMs 2250656 Specdb::MsMs 3046039 Specdb::MsMs 3046040 Specdb::MsMs 3046041 Specdb::MsMs 3094156 Specdb::MsMs 3094157 Specdb::MsMs 3094158 Specdb::NmrOneD 1539 Specdb::NmrOneD 145370 Specdb::NmrOneD 145371 Specdb::NmrOneD 145372 Specdb::NmrOneD 145373 Specdb::NmrOneD 145374 Specdb::NmrOneD 145375 Specdb::NmrOneD 145376 Specdb::NmrOneD 145377 Specdb::NmrOneD 145378 Specdb::NmrOneD 145379 Specdb::NmrOneD 145380 Specdb::NmrOneD 145381 Specdb::NmrOneD 145382 Specdb::NmrOneD 145383 Specdb::NmrOneD 145384 Specdb::NmrOneD 145385 Specdb::NmrOneD 145386 Specdb::NmrOneD 145387 Specdb::NmrOneD 145388 Specdb::NmrOneD 145389 Liver Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 FDB022240 98681 89122 89836 5749 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.