(3S)-3-methyl-2-oxopentanoic acid

Details

• Internal ID: 1fbb4f7c-f75a-4335-a74f-5a97a2a36435
• Taxonomy: Organic acids and derivatives > Keto acids and derivatives > Short-chain keto acids and derivatives
• IUPAC Name: (3S)-3-methyl-2-oxopentanoic acid
• InChI: InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
• InChI Key: JVQYSWDUAOAHFM-BYPYZUCNSA-N
• Popularity: 34 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₀O₃
• Molecular Weight: 130.14 g/mol
• Exact Mass: 130.062994177 g/mol
• Topological Polar Surface Area (TPSA): 54.40 Ų
• XlogP: 1.10

Synonyms

• (3S)-3-Methyl-2-oxopentanoic acid
• 24809-08-3
• Pentanoic acid, 3-methyl-2-oxo-, (3S)-
• L-2-Keto-3-methylvalerate
• UNII-XQL9PAO004
• XQL9PAO004
• Valeric acid, 3-methyl-2-oxo-, l-
• (S)-3-Methyl-2-oxopentanoic acid
• (S)-3-methyl-2-oxopentanoate
• 3S-methyl-2-oxo-pentanoic acid
• (S)-3-methyl-2-oxovaleric acid
• 2-oxoisoleucine
• 2-oxo-3-methylpentanoate
• alpha-oxo-beta-methylvaleric acid
• 2-oxokolavenic acid
• alpha-oxo-beta-methyl-n-valeric acid
• 3-Methyl-2-oxovaleric
• 2-Oxo-3-methylvalerate
• 3-methyl-2-oxo-pentanoic acid
• 2-keto-3-methylvalerate
• 2-oxokolavenate
• alpha-keto-beta-methyl-n-valeric acid
• alpha-Oxo-beta-methylvalerate
• alpha-Keto-beta-methylvalerate
• 1QQ
• a-Oxo-b-methylvalerate
• a-Keto-b-methylvalerate
• 3-methyl-2-oxo-Valerate
• a-Oxo-b-methyl-n-valerate
• a-Oxo-b-methylvaleric acid
• 3-methyl-2-oxo-pentanoate
• a-keto-b-Methyl-n-valerate
• a-Keto-b-methylvaleric acid
• 2-Oxo-3-methyl-n-valerate
• 2-keto-3-methylvaleric acid
• (S)-OMV
• 3-methyl-2-oxo-Valeric acid
• SCHEMBL188105
• a-Oxo-b-methyl-n-valeric acid
• (r)-3-methyl-2-oxopentanoate
• .ALPHA.-KETO-ISOLEUCINE
• a-keto-b-Methyl-n-valeric acid
• alpha-Oxo-beta-methyl-n-valerate
• CHEBI:15614
• (3R)-3-Methyl-2-oxopentanoate
• alpha-keto-beta-methyl-n-valerate
• DTXSID20179505
• (s)-2-keto-3-methylvaleric acid
• (S)-2-oxo-3-methylpentanoic acid
• LMFA01020275
• (3s)-3-methyl-2-oxo-pentanoic acid
• (3S)-2-oxo-3-methyl-n-valeric acid
• ALPHA-KETO-ISOLEUCINE [WHO-DD]
• C00671
• 3-METHYL-2-OXO-PENTANOIC ACID, (3S)-
• Q27452360

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.98%	96.09%
CHEMBL2581	P07339	Cathepsin D	91.31%	98.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.19%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.06%	96.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.79%	97.25%
CHEMBL221	P23219	Cyclooxygenase-1	81.05%	90.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 439286
• LOTUS: LTS0123195
• wikiData: Q27452360