Products for Research Use Only
RegisterLogin

2-Hydroxy-3-Methylbutanoic Acid

CAT: 0127-OR1010470-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1010470-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
4026-18-0
MDL Number
MFCD00229603
Purity
97%
Smiles
CC(C)C(O)C(O)=O

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2-hydroxy-3-methylbutyric acid is a valine derivative that is valine in which the amino group has been replaced by a hydroxy group.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

Related Products

CatalogName
BUP16755-012-Hydroxy-2-methylbutanoic acid
OR4708432- (Benzylamino) -3-hydroxy-3-methylbutanoic acid
OR249642-Amino-3-hydroxy-2-methylbutanoic acid
PC1068792,2-Difluoro-3-hydroxy-3-methylbutanoic acid
OR1042417-01(R) -2-Amino-3-hydroxy-3-methylbutanoic acid
OR1053125-01(2S) -2-Amino-4-hydroxy-3-methylbutanoic acid
OR543984-Amino-3-hydroxy-3-methylbutanoic acid
OR307091N-Boc- (+-) -2-amino-3-hydroxy-3-methylbutanoic acid
OR1054950-01(2S,3S) -2-Amino-3-hydroxy-2-methylbutanoic acid
OR1061173-01(S) -2-Amino-3-hydroxy-3-methylbutanoic acid hydrochloride

Alternative Products

CatalogName
0140113-Hydroxy-2-methylbutanoic Acid
HY-W008150-012-Hydroxy-3-methylbutanoic acid
HY-W7255042-Hydroxy-3-methylbutanoic acid-d7
HY-W015874-012-Hydroxy-2-methylbutanoic acid
HY-30217-01(S) -2-Hydroxy-3-methylbutanoic acid
HY-W008150R-012-Hydroxy-3-methylbutanoic acid (Standard)

Popular Products