Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])c(N[C@@H](CSC)C(=O)O)c1- InChIKey
DQLROZTZGSUSNX-VIFPVBQESA-N- Molecular formula
- C11H14N2O5S
- Average molar mass
- 286.31 g/mol
Names & identifiers
- Preferred name
- N-(5-Methoxy-2-nitrophenyl)-S-methyl-L-cysteine
- IUPAC
- (2R)-2-(5-methoxy-2-nitroanilino)-3-methylsulfanylpropanoic acid
Names & synonyms
SCHEMBL7798483DQLROZTZGSUSNX-VIFPVBQESA-NN-(5-Methoxy-2-nitrophenyl)-S-methyl-L-cysteine
Database identifiers
- PubChem CID
- 57147352
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
1 records
Compound notes
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