2,3-dihydroxy-3-methylbutanoic acid

C5H10O4 — CID 677

IUPAC2,3-dihydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(O)C(=O)O
InChIInChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)
InChIKeyJTEYKUFKXGDTEU-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.80
Rot. Bonds2

About 2,3-dihydroxy-3-methylbutanoic acid

2,3-dihydroxy-3-methylbutanoic acid (PubChem CID 677) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2,3-dihydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-methylbutanoic acid
PubChem CID677
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name2,3-dihydroxy-3-methylbutanoic acid
SMILESCC(C)(O)C(O)C(=O)O
InChIInChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)
InChIKeyJTEYKUFKXGDTEU-UHFFFAOYSA-N
XLogP-0.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-methylbutanoic acid?
The IUPAC name of 2,3-dihydroxy-3-methylbutanoic acid (CID 677) is 2,3-dihydroxy-3-methylbutanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-methylbutanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-methylbutanoic acid is CC(C)(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-3-methylbutanoic acid?
The InChIKey is JTEYKUFKXGDTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8).
What are the key properties of 2,3-dihydroxy-3-methylbutanoic acid?
2,3-dihydroxy-3-methylbutanoic acid has a molecular weight of 134.13 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-methylbutanoic acid is sourced from PubChem (CID 677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).