1.0 2016-09-30 22:28:53 UTC 2020-05-05 18:37:00 UTC BMDB0000339 BMDB00339 2-Methylbutyrylglycine alpha-Methylbutyrylglycine a-Methylbutyrylglycine Α-methylbutyrylglycine (2-Methyl-butyrylamino)-acetate (2-Methyl-butyrylamino)-acetic acid 2-MBG 2-Methylbutyryl glycine N-(2-Methylbutyryl)glycine N-Sec-valerylglycine 2-Methylbutyrylglycine C7H13NO3 159.183 159.089543287 2-(2-methylbutanamido)acetic acid 2-methylbutyrylglycine 52320-67-9 CCC(C)C(=O)NCC(O)=O InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) HOACIBQKYRHBOW-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-acylglycine Solid logp 0.41 ALOGPS logs -1.25 ALOGPS logp 0.36 ChemAxon pka_strongest_acidic 4.17 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 2-(2-methylbutanamido)acetic acid ChemAxon average_mass 159.183 ChemAxon mono_mass 159.089543287 ChemAxon smiles CCC(C)C(=O)NCC(O)=O ChemAxon formula C7H13NO3 ChemAxon inchi InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10) ChemAxon inchikey HOACIBQKYRHBOW-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 39.25 ChemAxon polarizability 16.55 ChemAxon rotatable_bond_count 4 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 427 Specdb::MsIr 428 Specdb::MsIr 429 Specdb::NmrTwoD 1279 Specdb::CMs 19182 Specdb::CMs 37444 Specdb::CMs 136923 Specdb::CMs 144657 Specdb::CMs 1058918 Specdb::CMs 1058920 Specdb::CMs 1058921 Specdb::MsMs 546 Specdb::MsMs 547 Specdb::MsMs 548 Specdb::MsMs 308629 Specdb::MsMs 308630 Specdb::MsMs 308631 Specdb::MsMs 352858 Specdb::MsMs 352859 Specdb::MsMs 352860 Specdb::MsMs 2236251 Specdb::MsMs 2237145 Specdb::MsMs 2238387 Specdb::MsMs 2239174 Specdb::MsMs 2240410 Specdb::MsMs 2241314 Specdb::MsMs 2672366 Specdb::MsMs 2672367 Specdb::MsMs 2672368 Specdb::MsMs 3010338 Specdb::MsMs 3010339 Specdb::MsMs 3010340 Specdb::NmrOneD 1336 Specdb::NmrOneD 143550 Specdb::NmrOneD 143551 Specdb::NmrOneD 143552 Specdb::NmrOneD 143553 Specdb::NmrOneD 143554 Specdb::NmrOneD 143555 Specdb::NmrOneD 143556 Specdb::NmrOneD 143557 Specdb::NmrOneD 143558 Specdb::NmrOneD 143559 Specdb::NmrOneD 143560 Specdb::NmrOneD 143561 Specdb::NmrOneD 143562 Specdb::NmrOneD 143563 Specdb::NmrOneD 143564 Specdb::NmrOneD 143565 Specdb::NmrOneD 143566 Specdb::NmrOneD 143567 Specdb::NmrOneD 143568 Specdb::NmrOneD 143569 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 FDB021963 168243 86366 193872 5328 Korman, Stanley H.; Andresen, Brage S.; Zeharia, Avraham; Gutman, Alisa; Boneh, Avihu; Pitt, James J. 2-Ethylhydracrylic aciduria in short/branched-chain acyl-CoA dehydrogenase deficiency: application to diagnosis and implications for the R-pathway of isoleucine oxidation. Clinical Chemistry (Washington, DC, United States) (2005), 51(3), 610-617.