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Molecule
N2-[(1,1-Dimethylethoxy)Carbonyl]-N6-Formyl-L-Lysine
CAS: 2483-47-8 · C12H22N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2483-47-8
- Molecular Formula
- C12H22N2O5
- Molecular Mass
- 274.32 g/mol
Identifiers
CAS Registry Number
2483-47-8
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCCN=CO)C(=O)O
InChI Key
QYCPNUMTVZBTMM-VIFPVBQESA-N
InChI
InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)/t9-/m0/s1
Names and Synonyms
- N2-[(1,1-Dimethylethoxy)Carbonyl]-N6-Formyl-L-Lysine Synonym
- L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-formyl- Synonym
- Lysine, N2-carboxy-N6-formyl-, N2-tert-butyl ester, L- Synonym
- N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine Synonym
- NSC 334077 Synonym
- (S)-2-((tert-Butoxycarbonyl)amino)-6-formamidohexanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.32 g/mol | CAS Common Chemistry |
| 274.31699999999995 g/mol | RDKit | |
| 274.317 g/mol | RDKit | |
| Canonical SMILES | O=CNCCCCC(NC(=O)OC(C)(C)C)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QYCPNUMTVZBTMM-VIFPVBQESA-N | CAS Common Chemistry |
| Name | N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.71 Ų | RDKit |
| LogP | 1.9253000000000002 | RDKit |
| 1.9253 | RDKit | |
| 1.86 | chempirical lib | |
| Molar Refractivity | 72.16440000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 274.15287180400003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
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MW = 274.32 g/mol. Edit any field — others recompute live.
