C93

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Summary

Name:3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
Synonyms:3-(4-hydroxypiperidine-1-yl) phthalic acid
Formula:C13 H15 N O5
Formal charge:0
Molecular weight:265.262 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
OpenEye OEToolkits1.7.63-(4-oxidanylpiperidin-1-yl)phthalic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O
InChIInChI1.03InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
InChIKeyInChI1.03WHCKCCDPUOWOSW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC1CCN(CC1)c2cccc(C(O)=O)c2C(O)=O
SMILESCACTVS3.385OC1CCN(CC1)c2cccc(C(O)=O)c2C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O
167327
PDB entries from 2020-08-05