WVG

3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid

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

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1 entries where WVG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	10

2D diagram of WVG

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Chemical Component Summary
Name	3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid
Systematic Name (OpenEye OEToolkits)	3-[(3~{R})-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid
Formula	C₁₄ H₁₈ N₄ O₂
Molecular Weight	274.318
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c21c(ncc1)ncnc2N3CCCC(CCC(O)=O)C3
SMILES	CACTVS	3.385	OC(=O)CC[CH]1CCCN(C1)c2ncnc3[nH]ccc23
SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCCC(C3)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CC[C@H]1CCCN(C1)c2ncnc3[nH]ccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m1/s1
InChIKey	InChI	1.03	ADFCTPSWZLLXQI-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	164513184

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.