BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

1-cyclopentyl-3-[[(2S)-oxolan-2-yl]methyl]urea

1-cyclopentyl-3-[[(2S)-oxolan-2-yl]methyl]urea bmse012249 - Data

1-cyclopentyl-3-[[(2S)-oxolan-2-yl]methyl]urea synonyms

Wikipedia:

Graphical representations:

1-cyclopentyl-3-[[(2S)-oxolan-2-yl]methyl]urea

View large 3D structure

Molecular Formula: C11H20N2O2

Natural Isotopic Abundance Mass: 212.28869999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 212.15247789
  • C13N14: 223.18938110800005
  • C12N15: 214.146547676
  • C13N15: 225.18345089400006

InChI string: InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1

BMRB Ligand Expo: REG
EU-OPENSCREEN: EOS102989

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)