Chemical Components in the PDB

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81T : Summary

Code

81T

One-letter code

X

Molecule name

~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide

Formula

C10 H20 N2 O2

Formal charge

0

Molecular weight

200.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N[CH]1CC(C)(C)N(O)C1(C)C
SMILES OpenEye OEToolkits 2.0.7 CC(=O)NC1CC(N(C1(C)C)O)(C)C
Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H]1CC(C)(C)N(O)C1(C)C
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N[C@@H]1CC(N(C1(C)C)O)(C)C

IUPAC InChI

InChI=1S/C10H20N2O2/c1-7(13)11-8-6-9(2,3)12(14)10(8,4)5/h8,14H,6H2,1-5H3,(H,11,13)/t8-/m1/s1

IUPAC InChI key

KYBFUZFDBKACCD-MRVPVSSYSA-N
81T

wwPDB Information

Atom count

34 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-09-27

Last modified at

2022-08-22

Status

Released

Obsoleted

Not Assigned