Basic information
- Standard SMILES
CCCCOC(=O)C(N)Cc1ccccc1- InChIKey
VSFDFIPJWOBYLZ-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- l-Phenylalanine, butyl ester
- IUPAC
- butyl 2-amino-3-phenylpropanoate
Names & synonyms
l-Phenylalanine, butyl esterPhenylalanine, butyl esterSCHEMBL2734875VSFDFIPJWOBYLZ-UHFFFAOYSA-NDTXSID301369913
Database identifiers
- PubChem CID
- 413339
- DTXSID
DTXSID301369913
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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