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Basic information
- Standard SMILES
C=CCOC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C- InChIKey
GUMCWZKBWMLSKZ-MXWKQRLJSA-N- Molecular formula
- C14H21NO4
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.14705815
Names & identifiers
- Preferred name
- (1R,3S,5R)-2-aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 3-allyl ester 2-tert-butyl ester
- IUPAC
- 2-O-tert-butyl 3-O-prop-2-enyl (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
Names & synonyms
SCHEMBL12478941GUMCWZKBWMLSKZ-MXWKQRLJSA-N(1R,3S,5R)-2-aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 3-allyl ester 2-tert-butyl ester(1R,3S,5R)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid 3-allyl ester 2-tert-butyl ester
Database identifiers
- PubChem CID
- 68282982
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
3 records
Compound notes
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