2,3-dihydroxy-3-methylpentanoic acid

C6H12O4 — CID 8

IUPAC2,3-dihydroxy-3-methylpentanoic acid
SMILESCCC(C)(O)C(O)C(=O)O
InChIInChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)
InChIKeyPDGXJDXVGMHUIR-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.41
Rot. Bonds3

About 2,3-dihydroxy-3-methylpentanoic acid

2,3-dihydroxy-3-methylpentanoic acid (PubChem CID 8) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,3-dihydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-methylpentanoic acid
PubChem CID8
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name2,3-dihydroxy-3-methylpentanoic acid
SMILESCCC(C)(O)C(O)C(=O)O
InChIInChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)
InChIKeyPDGXJDXVGMHUIR-UHFFFAOYSA-N
XLogP-0.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroxy-3-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 2,3-dihydroxy-3-methylpentanoic acid?
The IUPAC name of 2,3-dihydroxy-3-methylpentanoic acid (CID 8) is 2,3-dihydroxy-3-methylpentanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-methylpentanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-methylpentanoic acid is CCC(C)(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-3-methylpentanoic acid?
The InChIKey is PDGXJDXVGMHUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 2,3-dihydroxy-3-methylpentanoic acid?
2,3-dihydroxy-3-methylpentanoic acid has a molecular weight of 148.16 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-methylpentanoic acid is sourced from PubChem (CID 8), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).