1.0 2010-04-08 22:04:37 UTC 2019-11-26 02:54:59 UTC FDB000562 (2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid Minor amino acid constituent of Trigonella foenum-graecum (fenugreek) seeds. (2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid is found in herbs and spices. 2-Amino-4-hydroxy-3-methylpentanoic acid; D-xylo-form C6H13NO3 147.1723 147.089543287 (2R,3R,4R)-2-amino-4-hydroxy-3-methylpentanoic acid (2R,3R,4R)-2-amino-4-hydroxy-3-methylpentanoic acid CC(O)C(C)C(N)C(O)=O InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10) OSCCDBFHNMXNME-UHFFFAOYSA-N belongs to the class of organic compounds known as isoleucine and derivatives. Isoleucine and derivatives are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Isoleucine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds 1,3-aminoalcohols Amino acids Carbonyl compounds Carboxylic acids D-alpha-amino acids Hydrocarbon derivatives Hydroxy fatty acids Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives 1,3-aminoalcohol Alcohol Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Branched fatty acid Carbonyl group Carboxylic acid D-alpha-amino acid Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Isoleucine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Secondary alcohol Short-chain hydroxy acid logp -2.9 ChemAxon pka_strongest_acidic 2.46 ChemAxon pka_strongest_basic 9.22 ChemAxon iupac (2R,3R,4R)-2-amino-4-hydroxy-3-methylpentanoic acid ChemAxon average_mass 147.1723 ChemAxon mono_mass 147.089543287 ChemAxon smiles CC(O)C(C)C(N)C(O)=O ChemAxon formula C6H13NO3 ChemAxon inchi InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10) ChemAxon inchikey OSCCDBFHNMXNME-UHFFFAOYSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 35.74 ChemAxon polarizability 14.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Herbs and Spices Unknown generic