Basic information
- Standard SMILES
CC[C@H](Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)O- InChIKey
SLPBMKXJJKRJDA-ZETCQYMHSA-N- Molecular formula
- C10H11BrN2O4
- Average molar mass
- 303.11 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[(5-bromo-2-nitrophenyl)amino]butanoic acid
- IUPAC
- (2S)-2-(5-bromo-2-nitroanilino)butanoic acid
Names & synonyms
SCHEMBL4870077SLPBMKXJJKRJDA-ZETCQYMHSA-N(2S)-2-[(5-bromo-2-nitrophenyl)amino]butanoic acid
Database identifiers
- PubChem CID
- 69223544
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
2 records
Compound notes
Loading…