WYG

[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid

Created:	2020-11-17
Last modified:	2022-07-13

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1 entries where WYG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	35
Aromatic Bond Count	10

2D diagram of WYG

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Chemical Component Summary
Name	[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
Systematic Name (OpenEye OEToolkits)	2-[(2~{R})-4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]ethanoic acid
Formula	C₁₂ H₁₄ N₄ O₃
Molecular Weight	262.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3cc2c(N1CC(CC(=O)O)OCC1)ncnc2n3
SMILES	CACTVS	3.385	OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]ccc23
SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCOC(C3)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C[C@@H]1CN(CCO1)c2ncnc3[nH]ccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCO[C@@H](C3)CC(=O)O
InChI	InChI	1.03	InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m1/s1
InChIKey	InChI	1.03	PRFABXNJKOXNTN-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	164513206

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.