L-carnitine | SBID = 1617 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 60.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 128.7 | ||
| Sum Formula: | C7H15NO3 | ||
| M / g/mol: | 161.2 | ||
| Complexity: | 134.0 | ||
| Number of Conformers: | 5.0 |
Identifiers
- Tags: typical guest, charged
- Name: L-carnitine
- Preferred Abbreviation: L-carnitine
- IUPAC Name: (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
- CAS: 541-15-1
- CID: 10917
- InChiKey: PHIQHXFUZVPYII-ZCFIWIBFSA-N
- InChi: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1
- CanoSmiles: C[N+](C)(C)CC(CC(=O)[O-])O
- IsoSmiles: C[N+](C)(C)C[C@@H](CC(=O)[O-])O
