XHG

1-[(2R)-oxolan-2-yl]methanamine

Created:	2020-12-16
Last modified:	2021-06-23

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2 entries where XHG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	1
Bond Count	18
Aromatic Bond Count	0

2D diagram of XHG

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Chemical Component Summary
Name	1-[(2R)-oxolan-2-yl]methanamine
Systematic Name (OpenEye OEToolkits)	[(2~{R})-oxolan-2-yl]methanamine
Formula	C₅ H₁₁ N O
Molecular Weight	101.147
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCC1OCCC1
SMILES	CACTVS	3.385	NC[CH]1CCCO1
SMILES	OpenEye OEToolkits	2.0.7	C1CC(OC1)CN
Canonical SMILES	CACTVS	3.385	NC[C@H]1CCCO1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C[C@@H](OC1)CN
InChI	InChI	1.03	InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
InChIKey	InChI	1.03	YNOGYQAEJGADFJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2734124
CCDC/CSD	YEZJUL

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.