4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid

C10H11NO4 — CID 90909419

IUPAC4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid
SMILESCC(C(=O)C(=O)O)C(O)c1ccccn1
InChIInChI=1S/C10H11NO4/c1-6(9(13)10(14)15)8(12)7-4-2-3-5-11-7/h2-6,8,12H,1H3,(H,14,15)
InChIKeyVMESOOMVAHLBRC-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.40
Rot. Bonds4

About 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid

4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid (PubChem CID 90909419) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid
PubChem CID90909419
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid
SMILESCC(C(=O)C(=O)O)C(O)c1ccccn1
InChIInChI=1S/C10H11NO4/c1-6(9(13)10(14)15)8(12)7-4-2-3-5-11-7/h2-6,8,12H,1H3,(H,14,15)
InChIKeyVMESOOMVAHLBRC-UHFFFAOYSA-N
XLogP0.40
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid?
The IUPAC name of 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid (CID 90909419) is 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid is CC(C(=O)C(=O)O)C(O)c1ccccn1.
What is the InChIKey of 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid?
The InChIKey is VMESOOMVAHLBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(9(13)10(14)15)8(12)7-4-2-3-5-11-7/h2-6,8,12H,1H3,(H,14,15).
What are the key properties of 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid?
4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-2-oxo-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 90909419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).