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N-Acetyl-L-Lysine
CAS: 1946-82-3 | C8H16N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1946-82-3
Molecular Formula:
C8H16N2O3
Molecular Mass:
188.23 g/mol
Names and Synonyms:
N-Acetyl-L-Lysine
L-Lysine, N2-acetyl-
Lysine, N2-acetyl-, L-
N2-Acetyl-L-lysine
Nα-Acetyl-L-lysine
Nα-Acetyllysine
6-Amino-L-2-acetamidohexanoic acid
N-Acetyl-L-lysine
N2-Acetyllysine
(2S)-6-Amino-2-acetamidohexanoic acid
(2S)-2-Acetamido-6-aminohexanoic acid
Identifiers:
SMILES:
CC(O)=N[C@@H](CCCCN)C(=O)O
InChI:
InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
Key Properties
Melting Point
250 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.23 g/mol | CAS Common Chemistry |
| 188.22699999999998 g/mol | RDKit | |
| 188.116092372 g/mol | RDKit | |
| Canonical SMILES | O=C(NC(C(=O)O)CCCCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VEYYWZRYIYDQJM-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 250 °C (decomp) | CAS Common Chemistry |
| Name | N-Acetyl-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| LogP | 0.5449999999999999 | RDKit |
| Molar Refractivity | 50.06700000000002 | RDKit |
