(+-)-2-Hydroxy-2-methylbutyric acid

Details

• Internal ID: 577590f4-2538-497d-a065-a0367e96a9ac
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Hydroxy fatty acids
• IUPAC Name: 2-hydroxy-2-methylbutanoic acid
• InChI: InChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
• InChI Key: MBIQENSCDNJOIY-UHFFFAOYSA-N
• Popularity: 68 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₀O₃
• Molecular Weight: 118.13 g/mol
• Exact Mass: 118.062994177 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 0.30

Synonyms

• 3739-30-8
• Butanoic acid, 2-hydroxy-2-methyl-
• CHEBI:68454
• RefChem:473083
• (+-)-2-Hydroxy-2-methylbutyric acid
• 223-120-7
• 2-Hydroxy-2-methylbutanoic acid
• MFCD00004476
• 2-hydroxy-2-methyl-butanoic acid
• 2-Hydroxy-2-methyl-n-butyric acid
• 2-hydroxy-2-methyl-butyric acid
• 2-Hydroxy-2-Methyl Butyric acid
• 2-hydroxy-2-methylbutanoicacid
• 2-Hydroxy-2-methylbutanoate
• 2-Methyl-2-hydroxybutyric acid
• EINECS 223-120-7
• alpha-Hydroxy-alpha-methylbutyric acid
• AI3-18883
• 2-Hydroxy-2-methylbutyrate
• 2-hydroxy-methylbutyric acid
• 2-hydroxy-2-methyl-butyrate
• SCHEMBL79613
• 2-Hydroxy-2-Methyl Butyrate
• 2-hydroxy-2-methyl-butanoate
• a-Hydroxy-a-methylbutyric acid
• 2-Hydroxy-2-methyl-n-butyrate
• orb1301701
• SCHEMBL2148666
• SCHEMBL4827435
• SCHEMBL8777502
• a-hydroxy-a-methyl-Butyric acid
• SCHEMBL29201837
• MBIQENSCDNJOIY-UHFFFAOYSA-
• DTXSID70863265
• NSC9458
• 2-hydroxy-2-ethyl-propionic acid
• MSK40381
• NSC 9458
• NSC-9458
• Butyric acid, 2-hydroxy-2-methyl-
• LMFA01050389
• s6183
• SBB065855
• (+/-)-2-Hydroxy-2-methylbutanoate
• (RS)-2-hydroxy-2-methylbutyric acid
• AKOS009158750
• (+/-)-a-Hydroxy-a-methylbutyric acid
• 2-Hydroxy-2-methylbutyric acid, 98%
• alpha-hydroxy-alpha-methyl-Butyric acid
• CS-W016590
• HY-W015874
• (+/-)-2-Hydroxy-2-methylbutanoic acid
• (+/-)-2-Hydroxy-2-methylbutyric acid
• AS-60048
• PD099657
• SY051605
• DB-021159
• H0636
• NS00014673
• (+/-)-alpha-Hydroxy-alpha-methylbutyric acid
• EN300-104746
• W11991
• AB-131/40897105
• F242602
• Q27136951
• Z788000964
• InChI=1/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.00%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.60%	96.09%
CHEMBL2581	P07339	Cathepsin D	89.07%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.76%	85.14%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.31%	100.00%

Plants that contains it

• Hippophae rhamnoides

Cross-Links

• PubChem: 95433
• NPASS: NPC118452