Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(Oc2ccc(OCC3CC3)cc2)C1- InChIKey
KYBHXVQYYQTROE-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Cyclopropylmethoxy-phenoxy)-azetidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[4-(cyclopropylmethoxy)phenoxy]azetidine-1-carboxylate
Names & synonyms
SCHEMBL15064705KYBHXVQYYQTROE-UHFFFAOYSA-N3-(4-Cyclopropylmethoxy-phenoxy)-azetidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86689008
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Related reactions
4 records
Compound notes
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