tert-butyl (1S,4R,5R)-5-ethanoyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: tert-butyl (1S,4R,5R)-5-ethanoyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: tert-butyl (1S,4R,5R)-5-acetyl-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1S,4R,5R)-5-acetyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,4R,5R)-5-acetyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1S,4R,5R)-5-acetyl-3-azabicyclo[2.1.1]hexane-3-carboxylic acid tert-butyl ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2CC1N(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)[C@@H]1[C@@H]2C[C@H]1N(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H19NO3/c1-7(14)10-8-5-9(10)13(6-8)11(15)16-12(2,3)4/h8-10H,5-6H2,1-4H3/t8-,9-,10-/m1/s1