4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid

C10H13NO4 — CID 54692231

IUPAC4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid
SMILESCc1cc(O)cc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H13NO4/c1-7-5-8(12)6-9(13)11(7)4-2-3-10(14)15/h5-6,12H,2-4H2,1H3,(H,14,15)
InChIKeyWGBSTJVDAMNUSH-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.73
Rot. Bonds4

About 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid

4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid (PubChem CID 54692231) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid
PubChem CID54692231
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid
SMILESCc1cc(O)cc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H13NO4/c1-7-5-8(12)6-9(13)11(7)4-2-3-10(14)15/h5-6,12H,2-4H2,1H3,(H,14,15)
InChIKeyWGBSTJVDAMNUSH-UHFFFAOYSA-N
XLogP0.73
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid (CID 54692231) is 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid is Cc1cc(O)cc(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid?
The InChIKey is WGBSTJVDAMNUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-5-8(12)6-9(13)11(7)4-2-3-10(14)15/h5-6,12H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid?
4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 54692231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).