Basic information
- Standard SMILES
O=C(O)[C@@H]1CCC(=O)N1c1ccc([N+](=O)[O-])cc1- InChIKey
IXMDFKBQCZPFGE-VIFPVBQESA-N- Molecular formula
- C11H10N2O5
- Average molar mass
- 250.21 g/mol
- Monoisotopic mass
- 250.05897142
Names & identifiers
- Preferred name
- (S)-1-(4-nitro-phenyl)-5-oxo-pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-(4-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL2573188IXMDFKBQCZPFGE-VIFPVBQESA-N(S)-1-(4-nitro-phenyl)-5-oxo-pyrrolidine-2-carboxylic acid
Database identifiers
- PubChem CID
- 67457654
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
1 records
Compound notes
Loading…