Basic information
- Standard SMILES
COC(=O)[C@H](CO)NC(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
QAUUPYAUEFCQOB-JTQLQIEISA-N- Molecular formula
- C12H14N2O7
- Average molar mass
- 298.25 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-3-hydroxy-2-[(4-nitrobenzyloxycarbonyl)amino]propionate
- IUPAC
- methyl (2S)-3-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]propanoate
Names & synonyms
QAUUPYAUEFCQOB-JTQLQIEISA-Nmethyl (2S)-3-hydroxy-2-[(4-nitrobenzyloxycarbonyl)amino]propionate
Database identifiers
- PubChem CID
- 57056522
- Nikkaji
- J1.249.208A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
6 records
Compound notes
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