Basic information
- Standard SMILES
O=C(O)CCC(=O)c1ccc(NC(=O)C2(Cl)CC2)cc1- InChIKey
KVEZYLIQVBOGAJ-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO4
- Average molar mass
- 295.72 g/mol
Names & identifiers
- Preferred name
- 3-[p-(1-Chlorocyclopropylcarbonylamino)-benzoyl]-propionic acid
- IUPAC
- 4-[4-[(1-chlorocyclopropanecarbonyl)amino]phenyl]-4-oxobutanoic acid
Names & synonyms
SCHEMBL10931484KVEZYLIQVBOGAJ-UHFFFAOYSA-N3-[p-(1-chlorocyclopropylcarbonylamino)-benzoyl]-propionic acid
Database identifiers
- PubChem CID
- 20483371
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
3 records
Compound notes
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