Pregabalin 3D structure

Pregabalin (also called Lyrica, 3-isobutyl GABA) has the formula C8H17NO2 and a molar mass of 159.23 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C8H17NO2
Molar mass
159.23 g/mol
PubChem CID
5486971
Heavy atoms
11
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name(3S)-3-(aminomethyl)-5-methylhexanoic acid
SMILESCC(C)C[C@@H](CC(=O)O)CN
PubChem CID5486971
Other namesLyrica, 3-isobutyl GABA, Pregabaline, Pregabalina, Vronogabic

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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