2-ethyl-2-hydroxy-3-oxobutanoic acid

C6H10O4 — CID 21

IUPAC2-ethyl-2-hydroxy-3-oxobutanoic acid
SMILESCCC(O)(C(C)=O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
InChIKeyVUQLHQFKACOHNZ-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.20
Rot. Bonds3

About 2-ethyl-2-hydroxy-3-oxobutanoic acid

2-ethyl-2-hydroxy-3-oxobutanoic acid (PubChem CID 21) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-3-oxobutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-3-oxobutanoic acid
PubChem CID21
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-ethyl-2-hydroxy-3-oxobutanoic acid
SMILESCCC(O)(C(C)=O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
InChIKeyVUQLHQFKACOHNZ-UHFFFAOYSA-N
XLogP-0.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-3-oxobutanoic acid?
The IUPAC name of 2-ethyl-2-hydroxy-3-oxobutanoic acid (CID 21) is 2-ethyl-2-hydroxy-3-oxobutanoic acid.
What is the SMILES notation for 2-ethyl-2-hydroxy-3-oxobutanoic acid?
The canonical SMILES for 2-ethyl-2-hydroxy-3-oxobutanoic acid is CCC(O)(C(C)=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-hydroxy-3-oxobutanoic acid?
The InChIKey is VUQLHQFKACOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-ethyl-2-hydroxy-3-oxobutanoic acid?
2-ethyl-2-hydroxy-3-oxobutanoic acid has a molecular weight of 146.14 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-3-oxobutanoic acid is sourced from PubChem (CID 21), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).