Basic information
- Standard SMILES
C[C@@H](C(=O)O)N(C)C(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N- InChIKey
FSNROPCWAQRXEX-YFKPBYRVSA-N- Molecular formula
- C12H12F3N3O5
- Average molar mass
- 335.24 g/mol
Names & identifiers
- Preferred name
- methyl(S)-N-[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]alanine
- IUPAC
- (2S)-2-[[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
Names & synonyms
methyl(S)-N-[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]alanineSCHEMBL7904472methyl (S)-N-[2-amino-3-nitro-5-(trifluoromethyl)benzoyl]alanine
Database identifiers
- PubChem CID
- 70224754
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
3 records
Compound notes
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