Chemical Components in the PDB

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8QR : Summary

Code

8QR

One-letter code

X

Molecule name

(3R)-3-aminopyrrolidin-2-one

Synonyms

(3R)-3-azanylpyrrolidin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (3~{R})-3-azanylpyrrolidin-2-one

Formula

C4 H8 N2 O

Formal charge

0

Molecular weight

100.119 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH]1CCNC1=O
SMILES OpenEye OEToolkits 2.0.7 C1CNC(=O)C1N
Canonical SMILES CACTVS 3.385 N[C@@H]1CCNC1=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CNC(=O)[C@@H]1N

IUPAC InChI

InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1

IUPAC InChI key

YNDAMDVOGKACTP-GSVOUGTGSA-N
8QR

wwPDB Information

Atom count

15 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-10-28

Last modified at

2022-11-04

Status

Released

Obsoleted

Not Assigned