Basic information
- Standard SMILES
Cc1cc([C@@H](CC2CCCC2)C(=O)O)ccc1S(C)(=O)=O- InChIKey
IYKUNTBBHXODKM-CQSZACIVSA-N- Molecular formula
- C16H22O4S
- Average molar mass
- 310.4 g/mol
Names & identifiers
- Preferred name
- 3-cyclopentyl-2(R)-(4-methanesulfonyl-3-methyl-pheny)-propionic acid
- IUPAC
- (2R)-3-cyclopentyl-2-(3-methyl-4-methylsulfonylphenyl)propanoic acid
Names & synonyms
SCHEMBL1861379IYKUNTBBHXODKM-CQSZACIVSA-N3-cyclopentyl-2(R)-(4-methanesulfonyl-3-methyl-pheny)-propionic acid
Database identifiers
- PubChem CID
- 67190025
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
Related reactions
2 records
Compound notes
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