2-methylpentanedioic acid

C6H10O4 — CID 12046

IUPAC2-methylpentanedioic acid
SMILESCC(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyAQYCMVICBNBXNA-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.57
Rot. Bonds4

About 2-methylpentanedioic acid

2-methylpentanedioic acid (PubChem CID 12046) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-methylpentanedioic acid.

Molecular Properties

Compound Name2-methylpentanedioic acid
PubChem CID12046
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-methylpentanedioic acid
SMILESCC(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyAQYCMVICBNBXNA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentanedioic acid?
The IUPAC name of 2-methylpentanedioic acid (CID 12046) is 2-methylpentanedioic acid.
What is the SMILES notation for 2-methylpentanedioic acid?
The canonical SMILES for 2-methylpentanedioic acid is CC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-methylpentanedioic acid?
The InChIKey is AQYCMVICBNBXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-methylpentanedioic acid?
2-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 2-methylpentanedioic acid is sourced from PubChem (CID 12046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).