N-acetyl-L-lysine methyl ester hydrochloride | SBID = 1528 | Compound |
Structure
Molecular Properties
| Interactions: | 19 | ||
| PubChem TPSA/Å2: | 81.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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: | |||
| Sum Formula: | C9H19ClN2O3 | ||
| M / g/mol: | 238.71 | ||
| Complexity: | 195.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: amino acid, typical guest
- Name: N-acetyl-L-lysine methyl ester hydrochloride
- Preferred Abbreviation: Ac-Lys-OMe
- IUPAC Name: methyl (2S)-2-acetamido-6-aminohexanoate;hydrochloride
- CAS: 20911-93-7
- CID: 2724393
- InChiKey: PCHGTXYLEAQWOM-QRPNPIFTSA-N
- InChi: InChI=1S/C9H18N2O3.ClH/c1-7(12)11-8(9(13)14-2)5-3-4-6-10;/h8H,3-6,10H2,1-2H3,(H,11,12);1H/t8-;/m0./s1
- CanoSmiles: CC(=O)NC(CCCCN)C(=O)OC.Cl
- IsoSmiles: CC(=O)N[C@@H](CCCCN)C(=O)OC.Cl
