2-Azabicyclo[2.1.1]hexane-2-carboxylic acid, 5-[2-ethoxy-1-(methylamino)ethyl]-, 1,1-dimethylethyl ester, (1S,4R,5S)-
Basic information
- CAS
2277900-00-0- Standard SMILES
CCOCC(NC)[C@@H]1[C@H]2C[C@@H]1N(C(=O)OC(C)(C)C)C2- InChIKey
VLGYYXKRARXEKW-RKLVZMDXSA-N- Molecular formula
- C15H28N2O3
- Average molar mass
- 284.39 g/mol
- Monoisotopic mass
- 284.20999276
Names & identifiers
- Preferred name
- 2-Azabicyclo[2.1.1]hexane-2-carboxylic acid, 5-[2-ethoxy-1-(methylamino)ethyl]-, 1,1-dimethylethyl ester, (1S,4R,5S)-
- IUPAC
- tert-butyl (1S,4R,5S)-5-[2-ethoxy-1-(methylamino)ethyl]-2-azabicyclo[2.1.1]hexane-2-carboxylate
Names & synonyms
DTXSID0011059202-Azabicyclo[2.1.1]hexane-2-carboxylic acid, 5-[2-ethoxy-1-(methylamino)ethyl]-, 1,1-dimethylethyl ester, (1S,4R,5S)-2277900-00-0
Database identifiers
- CAS
2277900-00-0- PubChem CID
- 165367159
- DTXSID
DTXSID001105920
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…