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

C12H17NO4 — CID 82212088

IUPAC2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ccc(=O)c(O)c1C
InChIInChI=1S/C12H17NO4/c1-3-4-5-9(12(16)17)13-7-6-10(14)11(15)8(13)2/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyLWFHLRULDOOSGI-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.68
Rot. Bonds5

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

2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (PubChem CID 82212088) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
PubChem CID82212088
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ccc(=O)c(O)c1C
InChIInChI=1S/C12H17NO4/c1-3-4-5-9(12(16)17)13-7-6-10(14)11(15)8(13)2/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyLWFHLRULDOOSGI-UHFFFAOYSA-N
XLogP1.68
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.68
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)hexanoic acid?
The IUPAC name of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (CID 82212088) is 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.
What is the SMILES notation for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The canonical SMILES for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid is CCCCC(C(=O)O)n1ccc(=O)c(O)c1C.
What is the InChIKey of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The InChIKey is LWFHLRULDOOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-4-5-9(12(16)17)13-7-6-10(14)11(15)8(13)2/h6-7,9,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.68, 5 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)hexanoic acid is sourced from PubChem (CID 82212088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).