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Molecule
N-Acetyl-L-Lysine
CAS: 1946-82-3 · C8H16N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1946-82-3
- Molecular Formula
- C8H16N2O3
- Molecular Mass
- 188.23 g/mol
Identifiers
CAS Registry Number
1946-82-3
SMILES
CC(O)=N[C@@H](CCCCN)C(=O)O
InChI Key
VEYYWZRYIYDQJM-ZETCQYMHSA-N
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
Names and Synonyms
- N-Acetyl-L-Lysine Common Name
- L-Lysine, N2-acetyl- Synonym
- Lysine, N2-acetyl-, L- Synonym
- N2-Acetyl-L-lysine Synonym
- Nα-Acetyl-L-lysine Synonym
- Nα-Acetyllysine Synonym
- 6-Amino-L-2-acetamidohexanoic acid Synonym
- N-Acetyl-L-lysine Synonym
- N2-Acetyllysine Synonym
- (2S)-6-Amino-2-acetamidohexanoic acid Synonym
- (2S)-2-Acetamido-6-aminohexanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.23 g/mol | CAS Common Chemistry |
| 188.22699999999998 g/mol | RDKit | |
| 188.227 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 |
| 95.91 Ų | RDKit | |
| LogP | 0.5449999999999999 | RDKit |
| 0.545 | RDKit | |
| Molar Refractivity | 50.06700000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 188.116092372 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 188.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16N2O3.
