4-hydroxy-2-methylbutanoic acid

C5H10O3 — CID 14081034

IUPAC4-hydroxy-2-methylbutanoic acid
SMILESCC(CCO)C(=O)O
InChIInChI=1S/C5H10O3/c1-4(2-3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyJYTYEGKJKIXWOJ-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.09
Rot. Bonds3

About 4-hydroxy-2-methylbutanoic acid

4-hydroxy-2-methylbutanoic acid (PubChem CID 14081034) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 4-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methylbutanoic acid
PubChem CID14081034
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name4-hydroxy-2-methylbutanoic acid
SMILESCC(CCO)C(=O)O
InChIInChI=1S/C5H10O3/c1-4(2-3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyJYTYEGKJKIXWOJ-UHFFFAOYSA-N
XLogP0.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylbutanoic acid?
The IUPAC name of 4-hydroxy-2-methylbutanoic acid (CID 14081034) is 4-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 4-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 4-hydroxy-2-methylbutanoic acid is CC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-methylbutanoic acid?
The InChIKey is JYTYEGKJKIXWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(2-3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 4-hydroxy-2-methylbutanoic acid?
4-hydroxy-2-methylbutanoic acid has a molecular weight of 118.13 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 14081034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).