Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1- InChIKey
BLIDANQMSARENI-HIFRSBDPSA-N- Molecular formula
- C16H17NO5S
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-4-Hydroxy-1-(naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid methyl ester
- IUPAC
- methyl (2S,4R)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL5409165BLIDANQMSARENI-HIFRSBDPSA-NAKOS015962726(2S,4R)-4-Hydroxy-1-(naphthalene-2-sulfonyl)-pyrrolidine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 7987003
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 543
Related reactions
12 records
Compound notes
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