(3S)-3-hydroxy-4-methylpentanoic acid

C6H12O3 — CID 12643870

IUPAC(3S)-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@@H](O)CC(=O)O
InChIInChI=1S/C6H12O3/c1-4(2)5(7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyBOAHYOWLXYZJSN-YFKPBYRVSA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds3

About (3S)-3-hydroxy-4-methylpentanoic acid

(3S)-3-hydroxy-4-methylpentanoic acid (PubChem CID 12643870) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-methylpentanoic acid
PubChem CID12643870
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3S)-3-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@@H](O)CC(=O)O
InChIInChI=1S/C6H12O3/c1-4(2)5(7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyBOAHYOWLXYZJSN-YFKPBYRVSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-hydroxy-4-methylpentanoic 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 (3S)-3-hydroxy-4-methylpentanoic acid?
The IUPAC name of (3S)-3-hydroxy-4-methylpentanoic acid (CID 12643870) is (3S)-3-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-4-methylpentanoic acid?
The canonical SMILES for (3S)-3-hydroxy-4-methylpentanoic acid is CC(C)[C@@H](O)CC(=O)O.
What is the InChIKey of (3S)-3-hydroxy-4-methylpentanoic acid?
The InChIKey is BOAHYOWLXYZJSN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O3/c1-4(2)5(7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-methylpentanoic acid?
(3S)-3-hydroxy-4-methylpentanoic acid has a molecular weight of 132.16 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 12643870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).