DO0

4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione

Created:	2021-11-30
Last modified:	2022-12-14

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1 entries where DO0 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	6

2D diagram of DO0

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Chemical Component Summary
Name	4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione
Systematic Name (OpenEye OEToolkits)	2-[3-methyl-2,6-bis(oxidanylidene)piperidin-3-yl]-4-oxidanyl-isoindole-1,3-dione
Formula	C₁₄ H₁₂ N₂ O₅
Molecular Weight	288.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)CCC1(C)N1C(=O)c2cccc(O)c2C1=O
SMILES	CACTVS	3.385	C[C]1(CCC(=O)NC1=O)N2C(=O)c3cccc(O)c3C2=O
SMILES	OpenEye OEToolkits	2.0.7	CC1(CCC(=O)NC1=O)N2C(=O)c3cccc(c3C2=O)O
Canonical SMILES	CACTVS	3.385	C[C@]1(CCC(=O)NC1=O)N2C(=O)c3cccc(O)c3C2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1(CCC(=O)NC1=O)N2C(=O)c3cccc(c3C2=O)O
InChI	InChI	1.03	InChI=1S/C14H12N2O5/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17)10(7)12(16)20/h2-4,17H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1
InChIKey	InChI	1.03	BAYMXHFHBGSGCP-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	126531318

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.