Chemical Components in the PDB

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O2J : Summary

Code

O2J

One-letter code

X

Molecule name

(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
OpenEye OEToolkits 2.0.6 (2~{R})-2-(methoxymethyl)-4-pyridin-2-yl-morpholine

Formula

C11 H16 N2 O2

Formal charge

0

Molecular weight

208.257 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N2(c1ccccn1)CCOC(C2)COC
SMILES CACTVS 3.385 COC[CH]1CN(CCO1)c2ccccn2
SMILES OpenEye OEToolkits 2.0.6 COCC1CN(CCO1)c2ccccn2
Canonical SMILES CACTVS 3.385 COC[C@H]1CN(CCO1)c2ccccn2
Canonical SMILES OpenEye OEToolkits 2.0.6 COC[C@H]1CN(CCO1)c2ccccn2

IUPAC InChI

InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m1/s1

IUPAC InChI key

QTYSPYFVCIFIBZ-SNVBAGLBSA-N
O2J

wwPDB Information

Atom count

31 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-05

Last modified at

2019-08-16

Status

Released

Obsoleted

Not Assigned