Pentyl 2-bromophenylalaninate
Basic information
- CAS
113961-64-1- Standard SMILES
CCCCCOC(=O)C(N)Cc1ccccc1Br- InChIKey
CDEPFBQZPJGQED-UHFFFAOYSA-N- Molecular formula
- C14H20BrNO2
- Average molar mass
- 314.22 g/mol
- Monoisotopic mass
- 313.06774
Names & identifiers
- Preferred name
- Pentyl 2-bromophenylalaninate
- IUPAC
- pentyl 2-amino-3-(2-bromophenyl)propanoate
Names & synonyms
Pentyl 2-bromophenylalaninate2-Bromophenylalanine pentyl esterDTXSID401299010113961-64-1
Database identifiers
- CAS
113961-64-1- PubChem CID
- 85548646
- DTXSID
DTXSID401299010
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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