3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid

C13H16FNO2 — CID 58935714

IUPAC3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)c1ccc(F)nc1
InChIInChI=1S/C13H16FNO2/c14-12-6-5-10(8-15-12)11(13(16)17)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H,16,17)
InChIKeyYNIXDRMBAPYLRN-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.97
Rot. Bonds4

About 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid

3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid (PubChem CID 58935714) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid
PubChem CID58935714
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)c1ccc(F)nc1
InChIInChI=1S/C13H16FNO2/c14-12-6-5-10(8-15-12)11(13(16)17)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H,16,17)
InChIKeyYNIXDRMBAPYLRN-UHFFFAOYSA-N
XLogP2.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid (CID 58935714) is 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid is O=C(O)C(CC1CCCC1)c1ccc(F)nc1.
What is the InChIKey of 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid?
The InChIKey is YNIXDRMBAPYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-6-5-10(8-15-12)11(13(16)17)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H,16,17).
What are the key properties of 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid?
3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(6-fluoro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 58935714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).