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Home> Encyclopedia > Hot Product Listed Z   > ZINC13001452
261354-87-4 structure

ZINC13001452

Iupac Name:benzyl N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CAS No.:261354-87-4
Molecular Weight:290.363
Molecular Formula:C16H22N2O3 (isomer)
Names and Identifiers
Synonyms

benzyl n-[(1s)-1-(cyclopentylcarbamoyl)ethyl]carbamate K-6771 MOLPORT-009-566-087 T6617967

Inchi
InChI=1S/C16H22N2O3/c1-12(15(19)18-14-9-5-6-10-14)17-16(20)21-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChkey
DOPBCOWVHMRKRL-LBPRGKRZSA-N
Canonical Smiles
CC(C(=O)NC1CCCC1)NC(=O)OCC2=CC=CC=C2
Computational chemical data
  • Molecular Weight:290.363g/mol
  • Molecular Formula:C16H22N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:290.163
  • Monoisotopic Mass:290.163
  • Complexity:347
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:67.4A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCjhmAYyCILABACI AiFSGAACAAAgAAAIiIGICIkIZiKAsTicMAAk1gGIqAeQwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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