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Home> Hot Product Listed 2   > (2s,4s)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
28117-76-2 structure

(2s,4s)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid

Iupac Name:1-(4-fluorophenyl)-2-pyrrolidin-1-ylpropan-1-one
CAS No.:28117-76-2
Molecular Weight:221.275
Molecular Formula:C15H17NO4 (isomer)
Names and Identifiers
Synonyms

Boc-(S)-3-(2-pyridinyl-methyl)-L-proline boc-(s)-gamma-(2-pyridinyl-methyl)-l-proline boc-(s)-gamma-(2-pyridinylmethyl)-l-proline mfcd07363503 ZINC4222933

Inchi
InChI=1S/C13H16FNO/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChkey
UYOUBVZNVDVMOA-UHFFFAOYSA-N
Canonical Smiles
CC(C(=O)C1=CC=C(C=C1)F)N2CCCC2
Computational chemical data
  • Molecular Weight:221.275g/mol
  • Molecular Formula:C15H17NO4
  • Compound Is Canonicalized:True
  • Exact Mass:221.122
  • Monoisotopic Mass:221.122
  • Complexity:242
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:20.3A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByIQAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHwAAAAAADCzBmAwyAIMAAACI AqBSAAACAAAkAAAIiAGIAMgIIDKAlTGEIQAggACIiYcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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