3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid

C13H17NO3 — CID 82526557

IUPAC3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
SMILESO=C(O)CCc1cccn(C2CCCC2)c1=O
InChIInChI=1S/C13H17NO3/c15-12(16)8-7-10-4-3-9-14(13(10)17)11-5-1-2-6-11/h3-4,9,11H,1-2,5-8H2,(H,15,16)
InChIKeyIXOLGDREUGWGIO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.98
Rot. Bonds4

About 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid

3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid (PubChem CID 82526557) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
PubChem CID82526557
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
SMILESO=C(O)CCc1cccn(C2CCCC2)c1=O
InChIInChI=1S/C13H17NO3/c15-12(16)8-7-10-4-3-9-14(13(10)17)11-5-1-2-6-11/h3-4,9,11H,1-2,5-8H2,(H,15,16)
InChIKeyIXOLGDREUGWGIO-UHFFFAOYSA-N
XLogP1.98
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid (CID 82526557) is 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid is O=C(O)CCc1cccn(C2CCCC2)c1=O.
What is the InChIKey of 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid?
The InChIKey is IXOLGDREUGWGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12(16)8-7-10-4-3-9-14(13(10)17)11-5-1-2-6-11/h3-4,9,11H,1-2,5-8H2,(H,15,16).
What are the key properties of 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid?
3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid is sourced from PubChem (CID 82526557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).