1.0 2016-09-30 22:34:17 UTC 2020-05-11 20:37:27 UTC BMDB0000650 BMDB00650 D-Alpha-aminobutyric acid D-alpha-Aminobutyric acid, also known as a-aminobutyrate or (R)-2-aminobutanoic acid, belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. D-alpha-Aminobutyric acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. (2R)-2-Aminobutyric acid (R)-2-Aminobutanoic acid (R)-2-Aminobutyric acid alpha-Aminobutyric acid D-(-)-2-Aminobutyric acid D-2-Aminobutanoic acid D-2-Aminobuttersaeure D-2-Aminobutyrate D-2-Aminobutyric acid (2R)-2-Aminobutyrate (R)-2-Aminobutanoate (R)-2-Aminobutyrate a-Aminobutyrate a-Aminobutyric acid alpha-Aminobutyrate Α-aminobutyrate Α-aminobutyric acid D-(-)-2-Aminobutyrate D-2-Aminobutanoate D-a-Aminobutyrate D-a-Aminobutyric acid D-alpha-Aminobutyrate D-Α-aminobutyrate D-Α-aminobutyric acid (2R)-2-Aminobutanoate (2R)-2-Aminobutanoic acid (R)-2-Amino-butanoate (R)-2-Amino-butanoic acid delta-(-)-2-Aminobutyric acid delta-2-Aminobutanoate delta-2-Aminobutanoic acid delta-2-Aminobuttersaeure delta-2-Aminobutyrate delta-2-Aminobutyric acid delta-alpha-Aminobutyric acid 2R-Amino-butanoate (2S)-2-Aminobutanoic acid alpha-Aminobutyric acid, (S)-isomer Butyrine, (S)-isomer L-2-Aminobutyric acid Homoalanine 2-Aminobutyric acid 2-Aminobutanoic acid alpha-Aminobutyric acid, (+-)-isomer Butyrine, (R)-isomer Butyrine Butyrine, (+-)-isomer L-Homoalanine alpha-Aminobutyric acid, (R)-isomer C4H9NO2 103.1198 103.063328537 (2R)-2-aminobutanoic acid D-2-aminobutyric acid 2623-91-8 CC[C@@H](N)C(O)=O InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QWCKQJZIFLGMSD-GSVOUGTGSA-N belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues D-alpha-amino acids Amino acids Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Amine Amino acid Carbonyl group Carboxylic acid D-alpha-amino acid Fatty 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 Amino fatty acids Amino fatty acids D-alpha-amino acid alpha-aminobutyric acid Solid water_solubility 278 mg/mL logp -2.55 ALOGPS logs 0.54 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 2.62 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac (2R)-2-aminobutanoic acid ChemAxon average_mass 103.1198 ChemAxon mono_mass 103.063328537 ChemAxon smiles CC[C@@H](N)C(O)=O ChemAxon formula C4H9NO2 ChemAxon inchi InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 ChemAxon inchikey QWCKQJZIFLGMSD-GSVOUGTGSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 25.02 ChemAxon polarizability 10.38 ChemAxon rotatable_bond_count 2 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 1400 Specdb::CMs 6620 Specdb::CMs 37674 Specdb::CMs 136343 Specdb::CMs 144077 Specdb::CMs 1071617 Specdb::CMs 1071618 Specdb::CMs 1071620 Specdb::NmrOneD 1455 Specdb::NmrOneD 144690 Specdb::NmrOneD 144691 Specdb::NmrOneD 144692 Specdb::NmrOneD 144693 Specdb::NmrOneD 144694 Specdb::NmrOneD 144695 Specdb::NmrOneD 144696 Specdb::NmrOneD 144697 Specdb::NmrOneD 144698 Specdb::NmrOneD 144699 Specdb::NmrOneD 144700 Specdb::NmrOneD 144701 Specdb::NmrOneD 144702 Specdb::NmrOneD 144703 Specdb::NmrOneD 144704 Specdb::NmrOneD 144705 Specdb::NmrOneD 144706 Specdb::NmrOneD 144707 Specdb::NmrOneD 144708 Specdb::NmrOneD 144709 Specdb::MsMs 885 Specdb::MsMs 886 Specdb::MsMs 887 Specdb::MsMs 4315 Specdb::MsMs 4316 Specdb::MsMs 4317 Specdb::MsMs 4318 Specdb::MsMs 4319 Specdb::MsMs 4320 Specdb::MsMs 4321 Specdb::MsMs 4322 Specdb::MsMs 4323 Specdb::MsMs 4324 Specdb::MsMs 4325 Specdb::MsMs 4326 Specdb::MsMs 4327 Specdb::MsMs 4328 Specdb::MsMs 4329 Specdb::MsMs 4330 Specdb::MsMs 248754 Specdb::MsMs 248755 Specdb::MsMs 248756 Specdb::MsMs 268695 Specdb::MsMs 268696 Specdb::MsMs 268697 Milk Commercial milk, by CIL LC-MS Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241 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 C02261 FDB012680 388757 DB04454 439691 28797 CPD0-1952 Alpha-Aminobutyric acid Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. 28306241