Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1- InChIKey
FJTCSTNTZKAGNA-NEPJUHHUSA-N- Molecular formula
- C14H16N2O7
- Average molar mass
- 324.29 g/mol
Names & identifiers
- Preferred name
- (2S, 4R)-4-hydroxy-N-(4-nitrobenzyloxycarbonyl)proline methyl ester
- IUPAC
- 2-O-methyl 1-O-[(4-nitrophenyl)methyl] (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
Names & synonyms
SCHEMBL6771627FJTCSTNTZKAGNA-NEPJUHHUSA-N(2S, 4R)-4-hydroxy-N-(4-nitrobenzyloxycarbonyl)proline methyl ester(2S,4R)-4-hydroxy-2-methoxycarbonyl-1-p-nitrobenzyloxycarbonylpyrrolidine(2s,4r)-1-p-nitrobenzyloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid methyl ester(2S,4R)-4-hydroxy-2-methoxycarbonyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
Database identifiers
- PubChem CID
- 18656014
- Nikkaji
- J2.260.275F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 457
Related reactions
8 records
Compound notes
Loading…