(2S)-N-(4-carbamoylphenyl)oxolane-2-carboxamide

(2S)-N-(4-carbamoylphenyl)oxolane-2-carboxamide bmse011346 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H14N2O3

Natural Isotopic Abundance Mass: 234.25115999999989

Mono-Isotopic Molecular Masses:

  • C12N14: 234.100442318
  • C13N14: 246.14070037400006
  • C12N15: 236.09451210400002
  • C13N15: 248.13477016000007

InChI string: InChI=1S/C12H14N2O3/c13-11(15)8-3-5-9(6-4-8)14-12(16)10-2-1-7-17-10/h3-6,10H,1-2,7H2,(H2,13,15)(H,14,16)/t10-/m0/s1

IUPAC: (2S)-N-(4-carbamoylphenyl)oxolane-2-carboxamide

wwPDB CCD: LWA

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)