5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid

C12H15NO5 — CID 58067521

IUPAC5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2(CO)CCCC2)cc(O)c1=O
InChIInChI=1S/C12H15NO5/c14-7-12(3-1-2-4-12)13-5-8(11(17)18)10(16)9(15)6-13/h5-6,14-15H,1-4,7H2,(H,17,18)
InChIKeyBXGGSUCPAGEBSU-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.51
Rot. Bonds3

About 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid

5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 58067521) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid
PubChem CID58067521
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2(CO)CCCC2)cc(O)c1=O
InChIInChI=1S/C12H15NO5/c14-7-12(3-1-2-4-12)13-5-8(11(17)18)10(16)9(15)6-13/h5-6,14-15H,1-4,7H2,(H,17,18)
InChIKeyBXGGSUCPAGEBSU-UHFFFAOYSA-N
XLogP0.51
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid (CID 58067521) is 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(C2(CO)CCCC2)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is BXGGSUCPAGEBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-7-12(3-1-2-4-12)13-5-8(11(17)18)10(16)9(15)6-13/h5-6,14-15H,1-4,7H2,(H,17,18).
What are the key properties of 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid?
5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[1-(hydroxymethyl)cyclopentyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58067521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).