Basic information
- Standard SMILES
CC(C)SC[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1- InChIKey
HNOQKELLOWCNTC-RYUDHWBXSA-N- Molecular formula
- C14H27NO3S
- Average molar mass
- 289.44 g/mol
Names & identifiers
- Preferred name
- (S)-3-((R)-1-Hydroxy-2-isopropylsulfanylethyl)pyrrolidine-1-carboxylic Acid t-Butyl Ester
- IUPAC
- tert-butyl (3S)-3-[(1R)-1-hydroxy-2-propan-2-ylsulfanylethyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL963792HNOQKELLOWCNTC-RYUDHWBXSA-N(S)-3-((R)-1-Hydroxy-2-isopropylsulfanylethyl) pyrrolidine-1-carboxylic Acid t-Butyl Ester(S)-3-((R)-1-Hydroxy-2-isopropylsulfanylethyl)pyrrolidine-1-carboxylic Acid t-Butyl Ester
Database identifiers
- PubChem CID
- 66859623
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
6 records
Compound notes
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