1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

C13H17NO4 — CID 114207432

IUPAC1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1CCC1CCCC1
InChIInChI=1S/C13H17NO4/c15-10-7-11(13(17)18)14(12(16)8-10)6-5-9-3-1-2-4-9/h7-9,15H,1-6H2,(H,17,18)
InChIKeyBGXMBMWSZWTVBA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.83
Rot. Bonds4

About 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid

1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (PubChem CID 114207432) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
PubChem CID114207432
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O)cc(=O)n1CCC1CCCC1
InChIInChI=1S/C13H17NO4/c15-10-7-11(13(17)18)14(12(16)8-10)6-5-9-3-1-2-4-9/h7-9,15H,1-6H2,(H,17,18)
InChIKeyBGXMBMWSZWTVBA-UHFFFAOYSA-N
XLogP1.83
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,3-Difluorocyclopentyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114224221
1-(2-Ethylbutyl)-6-oxopyridine-2-carboxylic acid
CID 108108517
1-(2-Methylpentyl)-6-oxopyridine-2-carboxylic acid
CID 108108592
1-(4-Methylpentyl)-6-oxopyridine-2-carboxylic acid
CID 108108671
1-(Cyclopentylmethyl)-6-oxopyridine-2-carboxylic acid
CID 108108765
1-(Cyclohexylmethyl)-6-oxopyridine-2-carboxylic acid
CID 108108783
1-(2-Ethylhexyl)-6-oxopyridine-2-carboxylic acid
CID 114040160
4-Hydroxy-1-(2-methylcyclohexyl)-6-oxopyridine-2-carboxylic acid
CID 114207389
1-(Cyclohexylmethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207417
4-Hydroxy-1-octan-2-yl-6-oxopyridine-2-carboxylic acid
CID 114207445
1-(4-Ethylcyclohexyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207452
4-Hydroxy-1-(6-methylheptan-2-yl)-6-oxopyridine-2-carboxylic acid
CID 114207457

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid (CID 114207432) is 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is O=C(O)c1cc(O)cc(=O)n1CCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The InChIKey is BGXMBMWSZWTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-10-7-11(13(17)18)14(12(16)8-10)6-5-9-3-1-2-4-9/h7-9,15H,1-6H2,(H,17,18).
What are the key properties of 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid?
1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).