2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate

CAS Registry Number®

109523-16-2
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CAS Name

2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate

Molecular Formula

C13H21NO4

Molecular Mass

255.31

Cite this Page

2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=109523-16-2 (retrieved 2024-09-06) (CAS RN: 109523-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-6-4-8(5-7-9)10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8?,9?,10-/m0/s1

InChIKey

InChIKey=RRRWAYWNXBSUFV-RTBKNWGFSA-N

SMILES

C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C2(CCC1(CC2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)C)N1C(C(=O)O)C2CCC1CC2

Other Names for this Substance

  • 2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (2S)-
  • 2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
  • (3S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid
  • (S)-2-N-(tert-Butyloxycarbonyl)azabicyclo[2.2.2]octane-3-carboxylic acid
  • (2S)-3-[(2-Methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[2.2.2]octane-2-carboxylic acid

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Deleted or Replaced CAS Registry Numbers

118125-06-7