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

C12H15NO5 — CID 114207477

IUPAC4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid
SMILESCOC1CCCC1n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H15NO5/c1-18-10-4-2-3-8(10)13-9(12(16)17)5-7(14)6-11(13)15/h5-6,8,10,14H,2-4H2,1H3,(H,16,17)
InChIKeySKVAXFXLEPGEEC-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.99
Rot. Bonds3

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

4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid (PubChem CID 114207477) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid
PubChem CID114207477
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid
SMILESCOC1CCCC1n1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H15NO5/c1-18-10-4-2-3-8(10)13-9(12(16)17)5-7(14)6-11(13)15/h5-6,8,10,14H,2-4H2,1H3,(H,16,17)
InChIKeySKVAXFXLEPGEEC-UHFFFAOYSA-N
XLogP0.99
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid (CID 114207477) is 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid is COC1CCCC1n1c(C(=O)O)cc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid?
The InChIKey is SKVAXFXLEPGEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-18-10-4-2-3-8(10)13-9(12(16)17)5-7(14)6-11(13)15/h5-6,8,10,14H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid?
4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxycyclopentyl)-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).