Basic information
- Standard SMILES
CN(C)C=C1C(=O)[C@H]2[C@H](C(=O)OC(C)(C)C)[C@H]2[C@]1(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
HRVKSRTXENGJFF-MZQPGHDOSA-N- Molecular formula
- C24H38N2O7
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- Di-tert-butyl (1S,2R,5R,6R)-2-(tert-butoxycarbonylamino)-3-(dimethylaminomethylene)-4-oxo-bicyclo[3.1.0]hexane-2,6-dicarboxylate
- IUPAC
- ditert-butyl (1S,2R,5R,6R)-3-(dimethylaminomethylidene)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate
Names & synonyms
HRVKSRTXENGJFF-MZQPGHDOSA-NDi-tert-butyl (1S,2R,5R,6R)-2-(tert-butoxycarbonylamino)-3-(dimethylaminomethylene)-4-oxo-bicyclo[3.1.0]hexane-2,6-dicarboxylateDitert-butyl (1S,2R,5R,6R)-2-(tert-butoxycarbonylamino)-3-(dimethylaminomethylene)-4-oxo-bicyclo[3.1.0]hexane-2,6-dicarboxylate
Database identifiers
- PubChem CID
- 86665754
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 871
Related reactions
4 records
Compound notes
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