Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1- InChIKey
USXWBIOVNUHXMI-ZDUSSCGKSA-N- Molecular formula
- C19H22N2O5
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (3S)-3-[(4-nitro-1-naphthyl)oxy]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (3S)-3-(4-nitronaphthalen-1-yl)oxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1775041USXWBIOVNUHXMI-ZDUSSCGKSA-Ntert-Butyl (3S)-3-[(4-nitro-1-naphthyl)oxy]pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 67156935
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
Loading…