Compound: 498-36-2
SMILES: O=C(O)C(O)CC(C)C
InChIKey: LVRFTAZAXQPQHI-UHFFFAOYSA-N
Synonyms: 498-36-2, 2-Hydroxy-4-methylvaleric acid, Leucic acid, alpha-Hydroxyisocaproic acid, Pentanoic acid, 2-hydroxy-4-methyl-, DL-alpha-Hydroxyisocaproic acid, 8RN4NSX3TY, CHEBI:59783, RefChem:798973, (+-)-2-Hydroxyisocaproic acid, 207-860-8, 233-677-8, 2-Hydroxy-4-methylpentanoic acid, DL-leucic acid, 2-Hydroxyisocaproic acid, 10303-64-7, leucinic acid, 2-HYDROXY-4-METHYL-PENTANOIC ACID, DL-2-Hydroxyisocaproic acid, HICA, MFCD00004246, DL-2-Hydroxy-4-methylvaleric acid, 2-hydroxyisohexanoic acid, DL-2-Hydroxy-4-methylpentanoic acid, 2-Hydroxyisocaproate, alpha-Hydroxyisocaproate, Leucate, (S)-2-Hydroxy-4-methylvaleric Acid, D-a-Hydroxyisocaproic acid, L-a-Hydroxyisocaproic acid, (+-)-Leucinic acid, DL-Leucate, DTXSID80862047, a-Hydroxyisocaproate, EINECS 207-860-8, EINECS 233-677-8, 2-Hydroxyisohexanoate, Pentanoic acid,2-hydroxy-4-methyl-,(2R)-, Pentanoic acid,2-hydroxy-4-methyl-,(2S)-, a-Hydroxy-iso-caproate, DL-a-Hydroxyisocaproate, a-Hydroxyisocaproic acid, DL-2-Hydroxyisocaproate, UNII-8RN4NSX3TY, Pregabalin Impurity 175, alpha-Hydroxy-iso-caproate, LEUCIC ACID, DL-, a-Hydroxy-iso-caproic acid, bmse000338, DL-alpha-Hydroxyisocaproate, alpha hydroxyisocaproic acid, DL-a-Hydroxyisocaproic acid, 2-hydroxy-4-methyl-Valerate, SCHEMBL185354, alpha-Hydroxy-iso-caproic acid, (+/-)-LEUCIC ACID, orb2664812, SCHEMBL6205402, SCHEMBL8376719, SCHEMBL8951609, (+/-)-LEUCINIC ACID, 2-Hydroxy-4-methylpentanoicacid, 2-Hydroxyisocaproic acid, 99%, CHEMBL3247392, SCHEMBL22393107, DL-2-Hydroxy-4-methylpentanoate, LVRFTAZAXQPQHI-UHFFFAOYSA-, 2-hydroxy-4-methyl-Valeric acid, LEUCIC ACID, (+/-)-, 2-Hydroxy-4-methylpentanoic acid #, HY-30216A, LMFA01050381, STK895083, AKOS005614031, SB44624, (+/-)-2-HYDROXYISOCAPROIC ACID, DL-.ALPHA.-HYDROXYISOCAPROIC ACID, (+/-)-2-HYDROXYISOHEXANOIC ACID, AS-60347, SY011222, DB-042392, CS-0135968, L0104, NS00022242, ST45026753, Leucic acid; 2-hydroxy-4-methylpentanoic acid, Pentanoic acid, 2-hydroxy-4-methyl-, (S)-, D87748, EN300-146687, F320241, Q17037730, F8882-4328, InChI=1/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)
Theoretical properties:
molecular_formula: C6H12O3
molecular_weight: 132.16 g/mol
exact_mass: 132.078644241 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 9
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 249.00 °C. @ 760.00 mm Hg
melting_point: 76.00 °C. @ 760.00 mm Hg
solubility: 886 mg/mL
Descriptions:
pubchem: 2-hydroxy-4-methylvaleric acid is a valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a branched-chain fatty acid. It is functionally related to a valeric acid. It is a conjugate acid of a 2-hydroxy-4-methylvalerate.
chebi: A valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an α-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Hydroxyisocaproic acid (HICA or leucic acid) is a metabolite of the branched-chain amino acid leucine. It is commonly sold as a purported muscle building supplement. It also has fungicidal properties. HICA was shown to increase protein synthesis and muscle mass in rats who were recovering from a period of induced atrophy.
HICA is also produced by several protozoans it has been reported to show anti- inflammatory activities.