rel-7-(1,1-Dimethylethyl) (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate

CAS Registry Number®

500556-91-2
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CAS Name

rel-7-(1,1-Dimethylethyl) (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate

Molecular Formula

C12H19NO4

Molecular Mass

241.28

Cite this Page

rel-7-(1,1-Dimethylethyl) (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=500556-91-2 (retrieved 2024-07-06) (CAS RN: 500556-91-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C12H19NO4/c1-12(2,3)17-11(16)13-7-4-5-9(13)8(6-7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9+/s2

InChIKey

InChIKey=XRDRXGVDCVQVPV-NGWRPYAKNA-N

SMILES

C(OC(C)(C)C)(=O)N1[C@]2([C@@H](C(O)=O)C[C@@]1(CC2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)C)N1C2CCC1C(C(=O)O)C2

Other Names for this Substance

  • 7-Azabicyclo[2.2.1]heptane-2,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester, (1R,2S,4S)-rel-
  • rel-7-(1,1-Dimethylethyl) (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate