Basic information
- Standard SMILES
O=C(O)C(CN1CCCC1)c1ccc(Cl)cc1- InChIKey
CJJQYWKUYJXNCO-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO2
- Average molar mass
- 253.72 g/mol
- Monoisotopic mass
- 253.0869564
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-3-(pyrrolidin-1-yl)propanoic acid
- IUPAC
- 2-(4-chlorophenyl)-3-pyrrolidin-1-ylpropanoic acid
Names & synonyms
SCHEMBL2264542CJJQYWKUYJXNCO-UHFFFAOYSA-N2-(4-chlorophenyl)-3-(pyrrolidin-1-yl)propanoic acid
Database identifiers
- PubChem CID
- 67339999
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
3 records
Compound notes
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