3-hydroxy-2,4-dimethylpentanoic acid

C7H14O3 — CID 12561828

IUPAC3-hydroxy-2,4-dimethylpentanoic acid
SMILESCC(C)C(O)C(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)
InChIKeyICRIJRMABYUYBG-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.72
Rot. Bonds3

About 3-hydroxy-2,4-dimethylpentanoic acid

3-hydroxy-2,4-dimethylpentanoic acid (PubChem CID 12561828) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-hydroxy-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,4-dimethylpentanoic acid
PubChem CID12561828
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-hydroxy-2,4-dimethylpentanoic acid
SMILESCC(C)C(O)C(C)C(=O)O
InChIInChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)
InChIKeyICRIJRMABYUYBG-UHFFFAOYSA-N
XLogP0.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-2,4-dimethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dimethylpentanoic acid?
The IUPAC name of 3-hydroxy-2,4-dimethylpentanoic acid (CID 12561828) is 3-hydroxy-2,4-dimethylpentanoic acid.
What is the SMILES notation for 3-hydroxy-2,4-dimethylpentanoic acid?
The canonical SMILES for 3-hydroxy-2,4-dimethylpentanoic acid is CC(C)C(O)C(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,4-dimethylpentanoic acid?
The InChIKey is ICRIJRMABYUYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10).
What are the key properties of 3-hydroxy-2,4-dimethylpentanoic acid?
3-hydroxy-2,4-dimethylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4-dimethylpentanoic acid is sourced from PubChem (CID 12561828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).