1.0 2010-04-08 22:06:03 UTC 2025-11-18 22:54:44 UTC FDB004023 DL-Aminobutyric acid Dl-aminobutyric acid, also known as butyrine or homoalanine, is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Dl-aminobutyric acid is soluble (in water) and a moderately acidic compound (based on its pKa). Dl-aminobutyric acid can be found in peanut, which makes dl-aminobutyric acid a potential biomarker for the consumption of this food product. C4H9NO2 103.1198 103.063328537 2-aminobutanoic acid Abu CCC(N)C(O)=O InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-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). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic 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 an amine monocarboxylic acid non-proteinogenic alpha-amino acid logp -2.55 ALOGPS logs 0.54 ALOGPS solubility 3.58e+02 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 2.62 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac 2-aminobutanoic acid ChemAxon average_mass 103.1198 ChemAxon mono_mass 103.063328537 ChemAxon smiles CCC(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) ChemAxon inchikey QWCKQJZIFLGMSD-UHFFFAOYSA-N ChemAxon polar_surface_area 63.32 ChemAxon refractivity 25.02 ChemAxon polarizability 10.47 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1622 Specdb::CMs 899 Specdb::CMs 111286 Specdb::CMs 124474 Specdb::CMs 813271 Specdb::CMs 813272 Specdb::CMs 813273 Specdb::CMs 813274 Specdb::NmrOneD 3842 Specdb::NmrOneD 4109 Specdb::NmrOneD 175241 Specdb::NmrOneD 175242 Specdb::NmrOneD 175243 Specdb::NmrOneD 175244 Specdb::NmrOneD 175245 Specdb::NmrOneD 175246 Specdb::NmrOneD 175247 Specdb::NmrOneD 175248 Specdb::NmrOneD 175249 Specdb::NmrOneD 175250 Specdb::NmrOneD 175251 Specdb::NmrOneD 175252 Specdb::NmrOneD 175253 Specdb::NmrOneD 175254 Specdb::NmrOneD 175255 Specdb::NmrOneD 175256 Specdb::NmrOneD 175257 Specdb::NmrOneD 175258 Specdb::NmrOneD 175259 Specdb::NmrOneD 175260 Specdb::MsMs 48597 Specdb::MsMs 48598 Specdb::MsMs 48599 Specdb::MsMs 172989 Specdb::MsMs 172990 Specdb::MsMs 172991 Specdb::MsMs 2229722 Specdb::MsMs 2229743 Specdb::MsMs 2253149 Specdb::MsMs 2253297 Specdb::MsMs 2255188 Specdb::MsMs 2255391 Specdb::MsMs 2257240 Specdb::MsMs 2257327 Specdb::MsMs 2259278 Specdb::MsMs 2259303 Specdb::MsMs 3398668 Specdb::MsMs 3398669 Specdb::MsMs 3398670 Specdb::MsMs 3416687 Specdb::MsMs 3416688 Specdb::MsMs 3416689 Peanut Type 1 specific Arachis hypogaea 3818