0VC

3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine

Created:2012-07-06
Last modified:  2013-10-16

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count3
Bond Count43
Aromatic Bond Count6
2D diagram of 0VC

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Chemical Component Summary

Name3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
Systematic Name (OpenEye OEToolkits)3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
FormulaC15 H22 N2 O2
Molecular Weight262.347
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2cc(OCC1NCC1)cc(c2)C3CC3CCOC
SMILESCACTVS3.370COCC[CH]1C[CH]1c2cncc(OC[CH]3CCN3)c2
SMILESOpenEye OEToolkits1.7.6COCCC1CC1c2cc(cnc2)OCC3CCN3
Canonical SMILESCACTVS3.370 COCC[C@H]1C[C@@H]1c2cncc(OC[C@@H]3CCN3)c2
Canonical SMILESOpenEye OEToolkits1.7.6 COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3
InChIInChI1.03 InChI=1S/C15H22N2O2/c1-18-5-3-11-7-15(11)12-6-14(9-16-8-12)19-10-13-2-4-17-13/h6,8-9,11,13,15,17H,2-5,7,10H2,1H3/t11-,13-,15-/m0/s1
InChIKeyInChI1.03 NMIIKXFGCKOYRV-WHOFXGATSA-N

Related Resource References

Resource NameReference
PubChem 56951495
ChEMBL CHEMBL2024094