1.0 2016-09-30 22:48:54 UTC 2020-05-11 20:48:53 UTC BMDB0001906 BMDB01906 2-Aminoisobutyric acid 2-Aminoisobutyric acid, also known as alpha-methylalanine or alpha-aminoisobutyrate, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2-Aminoisobutyric acid exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. 2-Aminoisobutyric acid exists in all living organisms, ranging from bacteria to humans. 2,2-Dimethylglycine 2-Amino-2-methylpropanoate 2-Amino-2-methylpropionic acid 2-Methylalanine 2MA AIB alpha,alpha-Dimethylglycine alpha-Aminoisobutanoic acid alpha-Aminoisobutyric acid alpha-Methylalanine 2-Amino-2-methylpropanoic acid 2-Amino-2-methylpropionate a,a-Dimethylglycine Α,α-dimethylglycine a-Aminoisobutanoate a-Aminoisobutanoic acid alpha-Aminoisobutanoate Α-aminoisobutanoate Α-aminoisobutanoic acid a-Aminoisobutyrate a-Aminoisobutyric acid alpha-Aminoisobutyrate Α-aminoisobutyrate Α-aminoisobutyric acid a-Methylalanine Α-methylalanine 2-Aminoisobutyrate 2-Aminoisobutyric acid, 11C-labeled 2-Aminoisobutyric acid, 14C-labeled 2-Aminoisobutyric acid 2-Amino-isobutyrate C4H9NO2 103.1198 103.063328537 2-amino-2-methylpropanoic acid α-aminoisobutyric acid 62-57-7 CC(C)(N)C(O)=O InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) FUOOLUPWFVMBKG-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Aliphatic acyclic compounds 2,2-dialkylglycine Amino fatty acids Solid melting_point 335 °C water_solubility 181 mg/mL at 25 °C logp -2.45 ALOGPS logs 0.51 ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 2.58 ChemAxon pka_strongest_basic 9.72 ChemAxon iupac 2-amino-2-methylpropanoic acid ChemAxon average_mass 103.1198 ChemAxon mono_mass 103.063328537 ChemAxon smiles CC(C)(N)C(O)=O ChemAxon formula C4H9NO2 ChemAxon inchi InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7) ChemAxon inchikey FUOOLUPWFVMBKG-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 25.21 ChemAxon polarizability 10.33 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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 1734 Specdb::CMs 792 Specdb::CMs 952 Specdb::CMs 6982 Specdb::CMs 30420 Specdb::CMs 31374 Specdb::CMs 38181 Specdb::CMs 135483 Specdb::CMs 143217 Specdb::MsIr 1466 Specdb::MsIr 1467 Specdb::MsIr 1468 Specdb::MsMs 1825 Specdb::MsMs 1826 Specdb::MsMs 1827 Specdb::MsMs 5597 Specdb::MsMs 5598 Specdb::MsMs 5599 Specdb::MsMs 5600 Specdb::MsMs 5601 Specdb::MsMs 5602 Specdb::MsMs 5603 Specdb::MsMs 5605 Specdb::MsMs 5606 Specdb::MsMs 251034 Specdb::MsMs 251035 Specdb::MsMs 251036 Specdb::MsMs 270975 Specdb::MsMs 270976 Specdb::MsMs 270977 Specdb::MsMs 437156 Specdb::MsMs 437157 Specdb::MsMs 439123 Specdb::MsMs 440108 Specdb::MsMs 445581 Specdb::MsMs 445582 Specdb::MsMs 445583 Specdb::NmrOneD 1305 Specdb::NmrOneD 1794 Specdb::NmrOneD 9922 Specdb::NmrOneD 9923 Specdb::NmrOneD 9924 Specdb::NmrOneD 9925 Specdb::NmrOneD 9926 Specdb::NmrOneD 9927 Specdb::NmrOneD 9928 Specdb::NmrOneD 9929 Specdb::NmrOneD 9930 Specdb::NmrOneD 9931 Specdb::NmrOneD 9932 Specdb::NmrOneD 9933 Specdb::NmrOneD 9934 Specdb::NmrOneD 9935 Specdb::NmrOneD 9936 Specdb::NmrOneD 9937 Specdb::NmrOneD 9938 Specdb::NmrOneD 9939 Specdb::NmrOneD 9940 Specdb::NmrOneD 9941 Specdb::NmrOneD 166454 Milk Commercial whole milk with 3.25% fat Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809 Prostate Tissue 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 DB02952 FDB022732 6119 5891 27971 C03665 2-Aminoisobutyric acid 37 Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. 29291809