Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1COc1cccc(Cl)c1- InChIKey
KSTCRCWBFCLFLD-ZDUSSCGKSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1288213
Names & identifiers
- Preferred name
- tert-Butyl (2S)-2-[(3-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-[(3-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL13801184KSTCRCWBFCLFLD-ZDUSSCGKSA-NDB-189982(S)-tert-butyl 2-((3-chlorophenoxy)methyl)pyrrolidine-1-carboxylatetert-Butyl (2S)-2-[(3-chlorophenoxy)methyl]pyrrolidine-1-carboxylate1229114-93-5
Database identifiers
- PubChem CID
- 57732115
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
4 records
Compound notes
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