2,3-dimethylbutanedioic acid

C6H10O4 — CID 11848

IUPAC2,3-dimethylbutanedioic acid
SMILESCC(C(=O)O)C(C)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKeyKLZYRCVPDWTZLH-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.43
Rot. Bonds3

About 2,3-dimethylbutanedioic acid

2,3-dimethylbutanedioic acid (PubChem CID 11848) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,3-dimethylbutanedioic acid.

Molecular Properties

Compound Name2,3-dimethylbutanedioic acid
PubChem CID11848
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,3-dimethylbutanedioic acid
SMILESCC(C(=O)O)C(C)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKeyKLZYRCVPDWTZLH-UHFFFAOYSA-N
XLogP0.43
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutanedioic acid?
The IUPAC name of 2,3-dimethylbutanedioic acid (CID 11848) is 2,3-dimethylbutanedioic acid.
What is the SMILES notation for 2,3-dimethylbutanedioic acid?
The canonical SMILES for 2,3-dimethylbutanedioic acid is CC(C(=O)O)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethylbutanedioic acid?
The InChIKey is KLZYRCVPDWTZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2,3-dimethylbutanedioic acid?
2,3-dimethylbutanedioic acid has a molecular weight of 146.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutanedioic acid is sourced from PubChem (CID 11848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).