N6-Acetyllysine | SBID = 1022 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 92.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 148.5 | ||
| Sum Formula: | C8H16N2O3 | ||
| M / g/mol: | 188.22 | ||
| Complexity: | 182.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aminoacid derivative
- Name: N6-Acetyllysine
- Preferred Abbreviation: N6-Acetyllysine
- IUPAC Name: (2S)-6-acetamido-2-aminohexanoic acid
- CAS: 692-04-6
- CID: 92832
- InChiKey: DTERQYGMUDWYAZ-ZETCQYMHSA-N
- InChi: InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
- CanoSmiles: CC(=O)NCCCCC(C(=O)O)N
- IsoSmiles: CC(=O)NCCCC[C@@H](C(=O)O)N
