1.0 2016-09-30 22:32:18 UTC 2020-05-11 20:37:08 UTC BMDB0000532 BMDB00532 Acetylglycine Ac-gly-OH Acetamidoacetic acid Aceturic acid Acetylamino-acetic acid Acetylaminoacetic acid Ethanoylaminoethanoic acid Acetamidoacetate Acetate Acetic acid Acetylamino-acetate Acetylaminoacetate Ethanoylaminoethanoate 15N-Acetylglycine a-radical 2-Acetamidoacetate 2-Acetamidoacetic acid Ac gly Aceturate Acetylglycocoll N-Acetyl-glycine N-Acetylglycine N-Acetylglycine sodium salt Acetylglycinate Acetylglycine C4H7NO3 117.1033 117.042593095 2-acetamidoacetic acid aceturate 543-24-8 CC(=O)NCC(O)=O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-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 N-acetyl-amino acid N-acylglycine Solid melting_point 207 - 209 °C water_solubility 26.3 mg/mL at 15 °C logp -0.89 ALOGPS logs -0.36 ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 3.77 ChemAxon pka_strongest_basic -2 ChemAxon iupac 2-acetamidoacetic acid ChemAxon average_mass 117.1033 ChemAxon mono_mass 117.042593095 ChemAxon smiles CC(=O)NCC(O)=O ChemAxon formula C4H7NO3 ChemAxon inchi InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) ChemAxon inchikey OKJIRPAQVSHGFK-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 25.45 ChemAxon polarizability 10.69 ChemAxon rotatable_bond_count 2 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 1352 Specdb::MsIr 608 Specdb::MsIr 609 Specdb::MsIr 610 Specdb::MsMs 752 Specdb::MsMs 753 Specdb::MsMs 754 Specdb::MsMs 4181 Specdb::MsMs 8849 Specdb::MsMs 8850 Specdb::MsMs 8851 Specdb::MsMs 15521 Specdb::MsMs 15522 Specdb::MsMs 15523 Specdb::MsMs 439211 Specdb::MsMs 440084 Specdb::MsMs 2236482 Specdb::MsMs 2236910 Specdb::MsMs 2238564 Specdb::MsMs 2238721 Specdb::MsMs 2238998 Specdb::MsMs 2240684 Specdb::MsMs 2241029 Specdb::MsMs 2242765 Specdb::MsMs 2243056 Specdb::MsMs 2250989 Specdb::MsMs 2251440 Specdb::MsMs 2336896 Specdb::MsMs 2336897 Specdb::CMs 1013 Specdb::CMs 14084 Specdb::CMs 29851 Specdb::CMs 31163 Specdb::CMs 37602 Specdb::CMs 136170 Specdb::CMs 143904 Specdb::CMs 1065136 Specdb::CMs 1065138 Specdb::CMs 1065140 Specdb::NmrOneD 1408 Specdb::NmrOneD 144230 Specdb::NmrOneD 144231 Specdb::NmrOneD 144232 Specdb::NmrOneD 144233 Specdb::NmrOneD 144234 Specdb::NmrOneD 144235 Specdb::NmrOneD 144236 Specdb::NmrOneD 144237 Specdb::NmrOneD 144238 Specdb::NmrOneD 144239 Specdb::NmrOneD 144240 Specdb::NmrOneD 144241 Specdb::NmrOneD 144242 Specdb::NmrOneD 144243 Specdb::NmrOneD 144244 Specdb::NmrOneD 144245 Specdb::NmrOneD 144246 Specdb::NmrOneD 144247 Specdb::NmrOneD 144248 Specdb::NmrOneD 144249 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 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 DB02713 FDB022100 10507 40410 10972 Aceturic acid 5517 Lin, Jiang Jen; Knifton, John F.; Yeakey, Ernest L. Preparation of N-acetylglycine. U.S. (1990), 5 pp.