Chemical Components in the PDB

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9UQ : Summary

Code

9UQ

One-letter code

X

Molecule name

(3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione

Formula

C13 H16 N2 O2

Formal charge

0

Molecular weight

232.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC[C]1(CCC(=O)NC1=O)c2ccc(N)cc2
SMILES OpenEye OEToolkits 2.0.6 CCC1(CCC(=O)NC1=O)c2ccc(cc2)N
Canonical SMILES CACTVS 3.385 CC[C@@]1(CCC(=O)NC1=O)c2ccc(N)cc2
Canonical SMILES OpenEye OEToolkits 2.0.6 CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N

IUPAC InChI

InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1

IUPAC InChI key

ROBVIMPUHSLWNV-CYBMUJFWSA-N
9UQ

wwPDB Information

Atom count

33 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-14

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned