2,3-dihydroxy-2,3-dimethylbutanedioic acid

C6H10O6 — CID 5255085

IUPAC2,3-dihydroxy-2,3-dimethylbutanedioic acid
SMILESCC(O)(C(=O)O)C(C)(O)C(=O)O
InChIInChI=1S/C6H10O6/c1-5(11,3(7)8)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10)
InChIKeyCPLWWXZZFYHPJY-UHFFFAOYSA-N
MW178.14 g/mol
LogP-1.34
Rot. Bonds3

About 2,3-dihydroxy-2,3-dimethylbutanedioic acid

2,3-dihydroxy-2,3-dimethylbutanedioic acid (PubChem CID 5255085) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2,3-dihydroxy-2,3-dimethylbutanedioic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2,3-dimethylbutanedioic acid
PubChem CID5255085
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2,3-dihydroxy-2,3-dimethylbutanedioic acid
SMILESCC(O)(C(=O)O)C(C)(O)C(=O)O
InChIInChI=1S/C6H10O6/c1-5(11,3(7)8)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10)
InChIKeyCPLWWXZZFYHPJY-UHFFFAOYSA-N
XLogP-1.34
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroxy-2,3-dimethylbutanedioic 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-2,3-dimethylbutanedioic acid?
The IUPAC name of 2,3-dihydroxy-2,3-dimethylbutanedioic acid (CID 5255085) is 2,3-dihydroxy-2,3-dimethylbutanedioic acid.
What is the SMILES notation for 2,3-dihydroxy-2,3-dimethylbutanedioic acid?
The canonical SMILES for 2,3-dihydroxy-2,3-dimethylbutanedioic acid is CC(O)(C(=O)O)C(C)(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-2,3-dimethylbutanedioic acid?
The InChIKey is CPLWWXZZFYHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c1-5(11,3(7)8)6(2,12)4(9)10/h11-12H,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxy-2,3-dimethylbutanedioic acid?
2,3-dihydroxy-2,3-dimethylbutanedioic acid has a molecular weight of 178.14 g/mol, XLogP of -1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2,3-dimethylbutanedioic acid is sourced from PubChem (CID 5255085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).