Basic information
- Standard SMILES
CCOC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)C2)cc1- InChIKey
UXMROSHVLZMQFV-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 3-[4-(ethoxycarbonyl)phenyl]pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(4-ethoxycarbonylphenyl)pyrrolidine-1-carboxylate
Names & synonyms
UXMROSHVLZMQFV-UHFFFAOYSA-Ntert-Butyl 3-[4-(ethoxycarbonyl)phenyl]pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 86644577
- Nikkaji
- J3.543.922F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
1 records
Compound notes
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