Basic information
- Standard SMILES
COC(=O)C(C)(C)[C@](C)(N)c1ccccc1F- InChIKey
NUPMMVZAFBVEAI-CYBMUJFWSA-N- Molecular formula
- C13H18FNO2
- Average molar mass
- 239.29 g/mol
Names & identifiers
- Preferred name
- (S)-3-amino-3-(2-fluoro-phenyl)-2,2-dimethyl-butyric acid methyl ester
- IUPAC
- methyl (3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylbutanoate
Names & synonyms
SCHEMBL568420NUPMMVZAFBVEAI-CYBMUJFWSA-N(S)-3-amino-3-(2-fluoro-phenyl)-2,2-dimethyl-butyric acid methyl ester
Database identifiers
- PubChem CID
- 57497145
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Related reactions
1 records
Compound notes
Loading…