2-(4-Cyano-phenyl)-3-cyclopentyl-propionic acid
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Basic information
- Standard SMILES
N#Cc1ccc(C(CC2CCCC2)C(=O)O)cc1- InChIKey
PKMUQHGMLPDFCH-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Cyano-phenyl)-3-cyclopentyl-propionic acid
- IUPAC
- 2-(4-cyanophenyl)-3-cyclopentylpropanoic acid
Names & synonyms
SCHEMBL2645029PKMUQHGMLPDFCH-UHFFFAOYSA-N2-(4-cyano-phenyl)-3-cyclopentyl-propionic acid
Database identifiers
- PubChem CID
- 11736664
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
10 records
Compound notes
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