2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid

C10H13NO4 — CID 82212086

IUPAC2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1ccc(=O)c(O)c1C
InChIInChI=1S/C10H13NO4/c1-3-7(10(14)15)11-5-4-8(12)9(13)6(11)2/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyFZMMBGOCCSHIDY-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid

2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid (PubChem CID 82212086) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid
PubChem CID82212086
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1ccc(=O)c(O)c1C
InChIInChI=1S/C10H13NO4/c1-3-7(10(14)15)11-5-4-8(12)9(13)6(11)2/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyFZMMBGOCCSHIDY-UHFFFAOYSA-N
XLogP0.90
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid (CID 82212086) is 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid is CCC(C(=O)O)n1ccc(=O)c(O)c1C.
What is the InChIKey of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid?
The InChIKey is FZMMBGOCCSHIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-7(10(14)15)11-5-4-8(12)9(13)6(11)2/h4-5,7,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid?
2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 82212086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).