Trimethylglycine | SBID = 1435 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 3
PubChem TPSA/Å2: 40.1
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 0.5
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 97.0
Sum Formula: C5H11NO2
M / g/mol: 117.15
Complexity: 87.0
Number of Conformers: 2.0

Identifiers

  • Tags: typical guest, charged
  • Name: Trimethylglycine
  • Preferred Abbreviation: Betaine
  • IUPAC Name: 2-(trimethylazaniumyl)acetate
  • CAS: 107-43-7
  • CID: 247
  • InChiKey: KWIUHFFTVRNATP-UHFFFAOYSA-N
  • InChi: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
  • CanoSmiles: C[N+](C)(C)CC(=O)[O-]
  • IsoSmiles: C[N+](C)(C)CC(=O)[O-]