Chemical Components in the PDB

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4RH : Summary

Code

4RH

One-letter code

X

Molecule name

(2~{R})-1-(2-methoxyethoxy)propan-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-1-(2-methoxyethoxy)propan-2-amine

Formula

C6 H15 N O2

Formal charge

0

Molecular weight

133.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COCCOC[CH](C)N
SMILES OpenEye OEToolkits 2.0.7 CC(COCCOC)N
Canonical SMILES CACTVS 3.385 COCCOC[C@@H](C)N
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](COCCOC)N

IUPAC InChI

InChI=1S/C6H15NO2/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1

IUPAC InChI key

CMXIILNXYHCYPP-ZCFIWIBFSA-N
4RH

wwPDB Information

Atom count

24 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-07-07

Last modified at

2021-11-26

Status

Released

Obsoleted

Not Assigned