N-t-butoxycarbonyl(3,5-difluorophenyl)alanine methyl ester
Basic information
- Standard SMILES
COC(=O)[C@H](C)N(C(=O)OC(C)(C)C)c1cc(F)cc(F)c1- InChIKey
ILQMDRNOGCMXRO-VIFPVBQESA-N- Molecular formula
- C15H19F2NO4
- Average molar mass
- 315.31 g/mol
Names & identifiers
- Preferred name
- N-t-butoxycarbonyl(3,5-difluorophenyl)alanine methyl ester
- IUPAC
- methyl (2S)-2-[3,5-difluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoate
Names & synonyms
SCHEMBL6294115ILQMDRNOGCMXRO-VIFPVBQESA-NN-t-butoxycarbonyl(3,5-difluorophenyl)alanine methyl ester
Database identifiers
- PubChem CID
- 69734307
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
3 records
Compound notes
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