3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid

C19H21NO2 — CID 22467900

IUPAC3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H21NO2/c21-19(22)18(12-14-4-1-2-5-14)16-9-7-15(8-10-16)17-6-3-11-20-13-17/h3,6-11,13-14,18H,1-2,4-5,12H2,(H,21,22)
InChIKeyOFDGPRICMDIBCA-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.50
Rot. Bonds5

About 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid

3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid (PubChem CID 22467900) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid
PubChem CID22467900
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid
SMILESO=C(O)C(CC1CCCC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H21NO2/c21-19(22)18(12-14-4-1-2-5-14)16-9-7-15(8-10-16)17-6-3-11-20-13-17/h3,6-11,13-14,18H,1-2,4-5,12H2,(H,21,22)
InChIKeyOFDGPRICMDIBCA-UHFFFAOYSA-N
XLogP4.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Tropicamide, (R)-
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2-(Pyridin-3-yl)benzoic acid
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3-(Pyridin-3-yl)benzoic acid
CID 2795575
3-(Pyridin-4-yl)propanoic acid
CID 233243
3-(Pyridin-3-yl)propanoic acid
CID 259624
3-phenyl-3-(1H-pyrrol-1-yl)propanoic acid
CID 3238289
3-Pyridinebutanoic acid
CID 114
4-Pyridin-3-yl-benzoic acid
CID 1515244

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid?
The IUPAC name of 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid (CID 22467900) is 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid is O=C(O)C(CC1CCCC1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid?
The InChIKey is OFDGPRICMDIBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)18(12-14-4-1-2-5-14)16-9-7-15(8-10-16)17-6-3-11-20-13-17/h3,6-11,13-14,18H,1-2,4-5,12H2,(H,21,22).
What are the key properties of 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid?
3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-pyridin-3-ylphenyl)propanoic acid is sourced from PubChem (CID 22467900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).