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2-Hydroxy-3-methylbutyric acid

CAT: 1410-M19995-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M19995-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Hydroxy-3-methylbutyric acid (2-hydroxyisovaleric acid) is a metabolite found in the urine of patients with phenylketonuria methylmalonic acidemia propionic acidemia 3-ketothiolase deficiency isovaleric acidemia 3-methylcrotonylglycemia 3-hydroxy-3-methylglutaric acidemia multiple carboxylase deficiency glutaric aciduria ornithine transcarbamylase deficiency glyceroluria tyrosinemia type I galactosemia and maple syrup urine disease.
CAS Number
4026-18-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
118.13
Molecular Formula
C5H10O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

(+-)-2-Hydroxyisovaleric acid

2-hydroxy-3-methylbutyric acid is a valine derivative that is valine in which the amino group has been replaced by a hydroxy group. It has a role as a human metabolite. It is functionally related to an isovaleric acid. It is a conjugate acid of a 2-hydroxy-3-methylbutyrate.

CAS Number4026-18-0
PubChem CID99823
IUPAC Name2-hydroxy-3-methylbutanoic acid
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity87
SMILES
CC(C)C(C(=O)O)O
InChI
InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
InChIKey
NGEWQZIDQIYUNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-2-Hydroxyisovaleric acid
CAS: 4026-18-0
CID: 99823
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity87.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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