Basic information
- Standard SMILES
NC1(C(=O)O)CCC(c2ccc(Br)cc2)C1- InChIKey
HXBKFSNTNCFTHX-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO2
- Average molar mass
- 284.15 g/mol
- Monoisotopic mass
- 283.02079
Names & identifiers
- Preferred name
- (3S)-1-amino-3-(4-bromophenyl)cyclopentanecarboxylic acid
- IUPAC
- 1-amino-3-(4-bromophenyl)cyclopentane-1-carboxylic acid
Names & synonyms
(3S)-1-amino-3-(4-bromophenyl)cyclopentanecarboxylic acidSCHEMBL2313607
Database identifiers
- PubChem CID
- 67360203
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Related reactions
1 records
Compound notes
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