2-(4-cyanophenyl)-2-cyclopentylpropanoic acid

C15H17NO2 — CID 91032334

IUPAC2-(4-cyanophenyl)-2-cyclopentylpropanoic acid
SMILESCC(C(=O)O)(c1ccc(C#N)cc1)C1CCCC1
InChIInChI=1S/C15H17NO2/c1-15(14(17)18,12-4-2-3-5-12)13-8-6-11(10-16)7-9-13/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyGWRMUCQMPHATDZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid

2-(4-cyanophenyl)-2-cyclopentylpropanoic acid (PubChem CID 91032334) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)-2-cyclopentylpropanoic acid
PubChem CID91032334
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(4-cyanophenyl)-2-cyclopentylpropanoic acid
SMILESCC(C(=O)O)(c1ccc(C#N)cc1)C1CCCC1
InChIInChI=1S/C15H17NO2/c1-15(14(17)18,12-4-2-3-5-12)13-8-6-11(10-16)7-9-13/h6-9,12H,2-5H2,1H3,(H,17,18)
InChIKeyGWRMUCQMPHATDZ-UHFFFAOYSA-N
XLogP3.09
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 67957539
(1-methylpiperidin-4-yl) 2-(4-cyanophenyl)-2-cyclopentylpropanoate
CID 68972419
2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
CID 67957962
methyl 3-(4-cyanophenyl)-3-cyclopentylbutanoate
CID 70972093
2-(4-cyanophenyl)-2-hydroxypropanoic acid
CID 11513906
(2R)-2-cyclopentyl-2-(3-methyl-4-methylsulfonylphenyl)propanoic acid
CID 67191394
2-(4-cyanophenoxy)-2-cyclopropylpropanoic acid
CID 114991088
cyclopentanol;4-methylbenzonitrile
CID 144616073
4-(1-cyclohexyl-2-hydroxypropan-2-yl)benzonitrile
CID 113318956
2-(4-cyanophenyl)-2-methylpropanoyl chloride
CID 117047662
4-(2-methyl-3-oxobutan-2-yl)benzonitrile
CID 53344188
3-(4-cyanophenyl)-3-methylbutanoic acid
CID 71620536

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid?
The IUPAC name of 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid (CID 91032334) is 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid.
What is the SMILES notation for 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid?
The canonical SMILES for 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid is CC(C(=O)O)(c1ccc(C#N)cc1)C1CCCC1.
What is the InChIKey of 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid?
The InChIKey is GWRMUCQMPHATDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(14(17)18,12-4-2-3-5-12)13-8-6-11(10-16)7-9-13/h6-9,12H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid?
2-(4-cyanophenyl)-2-cyclopentylpropanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-2-cyclopentylpropanoic acid is sourced from PubChem (CID 91032334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).