Trimethylglycine | SBID = 1435 | Compound |
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-]
