UE0

(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid

Created:	2023-02-01
Last modified:	2024-02-21

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1 entries where UE0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	6

2D diagram of UE0

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Chemical Component Summary
Name	(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid
Formula	C₁₅ H₁₉ N O₃
Molecular Weight	261.316
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)C2(CCCN(C2)C(=O)C)C(=O)O
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCC[C@](C1)(C(O)=O)c2ccc(C)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)[C@]2(CCCN(C2)C(=O)C)C(=O)O
InChI	InChI	1.06	InChI=1S/C15H19NO3/c1-11-4-6-13(7-5-11)15(14(18)19)8-3-9-16(10-15)12(2)17/h4-7H,3,8-10H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKey	InChI	1.06	FZGIXDHLUQHJKF-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	170513385

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.