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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1 entries where 0VC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	3
Bond Count	43
Aromatic Bond Count	6

2D diagram of 0VC

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Chemical Component Summary
Name	3-[(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
Formula	C₁₅ H₂₂ N₂ O₂
Molecular Weight	262.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2cc(OCC1NCC1)cc(c2)C3CC3CCOC
SMILES	CACTVS	3.370	COCC[CH]1C[CH]1c2cncc(OC[CH]3CCN3)c2
SMILES	OpenEye OEToolkits	1.7.6	COCCC1CC1c2cc(cnc2)OCC3CCN3
Canonical SMILES	CACTVS	3.370	COCC[C@H]1C[C@@H]1c2cncc(OC[C@@H]3CCN3)c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	COCC[C@H]1C[C@@H]1c2cc(cnc2)OC[C@@H]3CCN3
InChI	InChI	1.03	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
InChIKey	InChI	1.03	NMIIKXFGCKOYRV-WHOFXGATSA-N

Related Resource References

Resource Name	Reference
PubChem	56951495
ChEMBL	CHEMBL2024094

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