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Ε-(Benzyloxycarbonyl)-L-Lysine
CAS: 1155-64-2 | C14H20N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1155-64-2
Molecular Formula:
C14H20N2O4
Molecular Mass:
280.32 g/mol
Names and Synonyms:
Ε-(Benzyloxycarbonyl)-L-Lysine
L-Lysine, N6-[(phenylmethoxy)carbonyl]-
Lysine, N6-carboxy-, N6-benzyl ester, L-
Lysine, N6-carboxy-, N-benzyl ester
L-Lysine, N6-carboxy-, N-benzyl ester
N6-[(Phenylmethoxy)carbonyl]-L-lysine
Nε-(Benzyloxycarbonyl)-L-lysine
Nε-(Benzyloxycarbonyl)lysine
Nε-Carbobenzoxy-L-lysine
N6-Carbobenzoxy-L-lysine
N6-Carboxylysine N6-benzyl ester
N6-(Benzyloxycarbonyl)-L-lysine
N6-(Phenylmethoxycarbonyl)-L-lysine
ε-(Benzyloxycarbonyl)-L-lysine
N-ε-Benzoyloxycarbonyllysine
N6-Carbobenzyloxy-L-lysine
ε-N-Carbobenzyloxy-L-lysine
H-L-Lys(Cbz)-OH
N-ε-Carbobenzyloxyl-L-Lysine
(S)-2-Amino-6-(((benzyloxy)carbonyl)amino)hexanoic acid
(2S)-2-Amino-6-(phenylmethoxycarbonylamino)hexanoic acid
Nε-Benzyloxycarbonyl-L-lysine
(2S)-2-Amino-6-[[(benzyloxy)carbonyl]amino]hexanoic acid
Identifiers:
SMILES:
N[C@@H](CCCCN=C(O)OCc1ccccc1)C(=O)O
InChI:
InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1
Key Properties
Melting Point
230 °C
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 | 280.32 g/mol | CAS Common Chemistry |
| 280.324 g/mol | RDKit | |
| 280.14230712 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NCCCCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CKGCFBNYQJDIGS-LBPRGKRZSA-N | CAS Common Chemistry |
| Melting Point | 230 °C | CAS Common Chemistry |
| Name | ε-(Benzyloxycarbonyl)-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 105.14 Ų | RDKit |
| LogP | 1.6993999999999998 | RDKit |
| Molar Refractivity | 75.62400000000004 | RDKit |
