Basic information
- Standard SMILES
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
NBPIPGHKYHUOGV-JTQLQIEISA-N- Molecular formula
- C11H12N2O6S
- Average molar mass
- 300.29 g/mol
Names & identifiers
- Preferred name
- (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
Names & synonyms
((4-nitrophenyl)sulfonyl)-L-proline(2S)-1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acidC11H12N2O6SL-Proline, 1-[(4-nitrophenyl)sulfonyl]-SCHEMBL3720939N-(4-nitrophenylsulfonyl)prolineNBPIPGHKYHUOGV-JTQLQIEISA-NN-4-nitrobenzenesulfonyl-L-prolineMFCD27931542AKOS0103731421-[(4-Nitrophenyl)sulfonyl]-L-prolineG80765
Database identifiers
- PubChem CID
- 721326
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
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