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Home> Hot Product Listed 3   > (3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid
756-77-4 structure

(3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid

Iupac Name:dimethyl phosphate;tetramethylazanium
CAS No.:756-77-4
Molecular Weight:199.187
Molecular Formula:C12H21CLN4O (isomer)
Names and Identifiers
Synonyms

(3aR,5s,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid cis-2-Boc-hexahydro-cyclopenta[c]pyrrole-5-carboxylic acid Meso-(3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid(WX110048) rel-(3aR,5S,6aS)-2-[(tert-butoxy)carbonyl]-octahydrocyclopenta[c]pyrrole-5-carboxylic acid

Inchi
InChI=1S/C4H12N.C2H7O4P/c1-5(2,3)4;1-5-7(3,4)6-2/h1-4H3;1-2H3,(H,3,4)/q+1;/p-1
InChkey
ZUTDMCQPJTZWDJ-UHFFFAOYSA-M
Canonical Smiles
C[N+](C)(C)C.COP(=O)([O-])OC
Computational chemical data
  • Molecular Weight:199.187g/mol
  • Molecular Formula:C12H21CLN4O
  • Compound Is Canonicalized:True
  • Exact Mass:199.097
  • Monoisotopic Mass:199.097
  • Complexity:92.5
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:58.6A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceBiOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFgAAACAAAAAAAAYCAAMAARAA QAAAAIAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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