Basic information
- Standard SMILES
CCCCOC(=O)[C@@H]1NC(=O)[C@@H]1N=[N+]=[N-]- InChIKey
HFLHXWUUCIEDHK-PHDIDXHHSA-N- Molecular formula
- C8H12N4O3
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.09094026
Names & identifiers
- Preferred name
- Butyl cis-3-azido-4-oxo-2-azetidinecarboxylate
- IUPAC
- butyl (2R,3R)-3-azido-4-oxoazetidine-2-carboxylate
Names & synonyms
HFLHXWUUCIEDHK-PHDIDXHHSA-NButyl cis-3-azido-4-oxo-2-azetidinecarboxylate
Database identifiers
- PubChem CID
- 86735451
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Related reactions
3 records
Compound notes
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