Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CBr- InChIKey
CDNLXJUOUOJIOM-NSHDSACASA-N- Molecular formula
- C13H16BrNO3
- Average molar mass
- 314.17 g/mol
Names & identifiers
- Preferred name
- Bromoacetylphenylalanine ethyl ester
- IUPAC
- ethyl (2S)-2-[(2-bromoacetyl)amino]-3-phenylpropanoate
Names & synonyms
SCHEMBL4916682CDNLXJUOUOJIOM-NSHDSACASA-Nbromoacetylphenylalanine ethyl ester
Database identifiers
- PubChem CID
- 53715554
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
1 records
Compound notes
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