(S)-Methyl 3-Amino-3-(2-fluoro-5-nitrophenyl)butanoate
Basic information
- Standard SMILES
COC(=O)C[C@](C)(N)c1cc([N+](=O)[O-])ccc1F- InChIKey
OCCWVBQJBKSMFZ-NSHDSACASA-N- Molecular formula
- C11H13FN2O4
- Average molar mass
- 256.23 g/mol
Names & identifiers
- Preferred name
- (S)-Methyl 3-Amino-3-(2-fluoro-5-nitrophenyl)butanoate
- IUPAC
- methyl (3S)-3-amino-3-(2-fluoro-5-nitrophenyl)butanoate
Names & synonyms
SCHEMBL287614OCCWVBQJBKSMFZ-NSHDSACASA-N(S)-Methyl 3-Amino-3-(2-fluoro-5-nitrophenyl)butanoate(S)-3-amino-3-(2-fluoro-5-nitro-phenyl)-butyric acid methyl ester
Database identifiers
- PubChem CID
- 57505083
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
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Related reactions
2 records
Compound notes
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