2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid

C12H17NO4 — CID 82212083

IUPAC2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)n1ccc(=O)c(O)c1CC
InChIInChI=1S/C12H17NO4/c1-3-5-9(12(16)17)13-7-6-10(14)11(15)8(13)4-2/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyLBTPOVNITYUKBC-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.54
Rot. Bonds5

About 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid

2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid (PubChem CID 82212083) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid
PubChem CID82212083
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)n1ccc(=O)c(O)c1CC
InChIInChI=1S/C12H17NO4/c1-3-5-9(12(16)17)13-7-6-10(14)11(15)8(13)4-2/h6-7,9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyLBTPOVNITYUKBC-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)butanoic acid
CID 82212086
2-(2-oxo-1-pyridinyl)pentanoic acid
CID 82032055
2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82032056
1-(1-carboxybutyl)pyrrole-2-carboxylic acid
CID 69470753
2-[3,5-bis(1-carboxybutyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]pentanoic acid
CID 139846064
2-(2-carbamothioylpyrrol-1-yl)pentanoic acid
CID 114654237
1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
CID 20688190
2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one
CID 118534403
2-(2-cyanoimidazol-1-yl)pentanoic acid
CID 83038294
(2R)-2-(3-aminopyrazol-1-yl)pentanoic acid
CID 124669645
3-hydroxy-1-(1-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 19786810
2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid
CID 83041133

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid?
The IUPAC name of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid (CID 82212083) is 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid.
What is the SMILES notation for 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid?
The canonical SMILES for 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid is CCCC(C(=O)O)n1ccc(=O)c(O)c1CC.
What is the InChIKey of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid?
The InChIKey is LBTPOVNITYUKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-5-9(12(16)17)13-7-6-10(14)11(15)8(13)4-2/h6-7,9,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid?
2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-hydroxy-4-oxo-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 82212083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).