Chemical Component Summary

Namemethyl (1S,3S,4R)-4-hydroxy-3-[(1S)-1-hydroxypropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
Identifiersmethyl (3~{S})-4-oxidanyl-3-[(1~{S})-1-oxidanylpropyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
FormulaC12 H21 N O4
Molecular Weight243.299
TypeNON-POLYMER
Isomeric SMILESCC[C@@H]([C@H]1C2(CCC(N1C(=O)OC)CC2)O)O
InChIInChI=1S/C12H21NO4/c1-3-9(14)10-12(16)6-4-8(5-7-12)13(10)11(15)17-2/h8-10,14,16H,3-7H2,1-2H3/t8-,9-,10-,12-/m0/s1
InChIKeyVZRPKINLZWKPDQ-GMOBBJLQSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count2
Bond Count39
Aromatic Bond Count0