3-methylpentanedioic acid

C6H10O4 — CID 12284

IUPAC3-methylpentanedioic acid
SMILESCC(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXJMMNTGIMDZPMU-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.57
Rot. Bonds4

About 3-methylpentanedioic acid

3-methylpentanedioic acid (PubChem CID 12284) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3-methylpentanedioic acid.

Molecular Properties

Compound Name3-methylpentanedioic acid
PubChem CID12284
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name3-methylpentanedioic acid
SMILESCC(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyXJMMNTGIMDZPMU-UHFFFAOYSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methylpentanedioic 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-methylpentanedioic acid?
The IUPAC name of 3-methylpentanedioic acid (CID 12284) is 3-methylpentanedioic acid.
What is the SMILES notation for 3-methylpentanedioic acid?
The canonical SMILES for 3-methylpentanedioic acid is CC(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-methylpentanedioic acid?
The InChIKey is XJMMNTGIMDZPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-methylpentanedioic acid?
3-methylpentanedioic acid has a molecular weight of 146.14 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentanedioic acid is sourced from PubChem (CID 12284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).