N6-Trimethyllysine | SBID = 1010 | Compound |
Structure
Molecular Properties
| Interactions: | 20 | ||
| PubChem TPSA/Å2: | 63.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| 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: | 156.7 | ||
| Sum Formula: | C9H21N2O2+ | ||
| M / g/mol: | 189.28 | ||
| Complexity: | 164.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: amino acid, typical guest
- Name: N6-Trimethyllysine
- Preferred Abbreviation: Trimethyllysine
- IUPAC Name: [(5S)-5-amino-5-carboxypentyl]-trimethylazanium
- CAS: 19253-88-4
- CID: 440121
- InChiKey: MXNRLFUSFKVQSK-QMMMGPOBSA-O
- InChi: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1
- CanoSmiles: C[N+](C)(C)CCCCC(C(=O)O)N
- IsoSmiles: C[N+](C)(C)CCCC[C@@H](C(=O)O)N
