TBJ

N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea

Created:	2020-03-19
Last modified:	2020-06-03

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3 entries where TBJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	0

2D diagram of TBJ

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Chemical Component Summary
Name	N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
Systematic Name (OpenEye OEToolkits)	1-cyclopentyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea
Formula	C₁₁ H₂₀ N₂ O₂
Molecular Weight	212.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2C(NC(NCC1CCCO1)=O)CCC2
SMILES	CACTVS	3.385	O=C(NC[CH]1CCCO1)NC2CCCC2
SMILES	OpenEye OEToolkits	2.0.7	C1CCC(C1)NC(=O)NCC2CCCO2
Canonical SMILES	CACTVS	3.385	O=C(NC[C@H]1CCCO1)NC2CCCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CCC(C1)NC(=O)NC[C@H]2CCCO2
InChI	InChI	1.03	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-/m1/s1
InChIKey	InChI	1.03	GZCFMEFTVSKHDE-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	38154784

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