Basic information
- Standard SMILES
O=C1CC(CC=CC(=O)OCc2ccccc2)N1- InChIKey
DGRXVDYUGJZMBW-UHFFFAOYSA-N- Molecular formula
- C14H15NO3
- Average molar mass
- 245.27 g/mol
Names & identifiers
- Preferred name
- benzyl 4-[(2RS)-4-oxoazetidin-2-yl]but-2-enoate
- IUPAC
- benzyl 4-(4-oxoazetidin-2-yl)but-2-enoate
Names & synonyms
SCHEMBL11000441DGRXVDYUGJZMBW-UHFFFAOYSA-Nbenzyl 4-[(2RS)-4-oxoazetidin-2-yl]but-2-enoatebenzyl 4-[(2RS)-4-oxoazetidin-2-yl]-but-2-enoate
Database identifiers
- PubChem CID
- 53759236
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
7 records
Compound notes
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