Basic information
- Standard SMILES
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
XLUPATRCPIOEGB-RMVXASLFSA-N- Molecular formula
- C22H33NO7
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- Di-tert-butyl (1S,2R,5R,6R)-2-(tert-butoxycarbonylamino)-3-methylene-4-oxo-bicyclo[3.1.0]hexane-2,6-dicarboxylate
- IUPAC
- ditert-butyl (1S,2R,5R,6R)-3-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate
Names & synonyms
SCHEMBL8621932XLUPATRCPIOEGB-RMVXASLFSA-NDi-tert-butyl (1S,2R,5R,6R)-2-(tert-butoxycarbonylamino)-3-methylene-4-oxo-bicyclo[3.1.0]hexane-2,6-dicarboxylateDi-tert-butyl (1S,2R,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-methylidene-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylate
Database identifiers
- PubChem CID
- 67643282
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 794
Related reactions
5 records
Compound notes
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