Basic information
- Standard SMILES
COC(=O)[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
VUCNDFSNBNCLOA-ZETCQYMHSA-N- Molecular formula
- C10H12N2O6S
- Average molar mass
- 288.28 g/mol
- Monoisotopic mass
- 288.04160728
Names & identifiers
- Preferred name
- Ns-Ala-OMe
- IUPAC
- methyl (2S)-2-[(4-nitrophenyl)sulfonylamino]propanoate
Names & synonyms
Ns-Ala-OMeVUCNDFSNBNCLOA-ZETCQYMHSA-N
Database identifiers
- PubChem CID
- 7035709
- Nikkaji
- J1.950.934F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Related reactions
1 records
Compound notes
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