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Α-Tert-Butoxycarbonyl-L-Lysine
CAS: 13734-28-6 | C11H22N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
13734-28-6
Molecular Formula:
C11H22N2O4
Molecular Mass:
246.31 g/mol
Names and Synonyms:
Α-Tert-Butoxycarbonyl-L-Lysine
L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-
Lysine, N2-carboxy-, N2-tert-butyl ester, L-
N2-[(1,1-Dimethylethoxy)carbonyl]-L-lysine
N2-tert-Butoxycarbonyl-L-lysine
BOC-Lys-OH
α-N-tert-Butoxycarbonyl-L-lysine
α-tert-Butoxycarbonyl-L-lysine
Nα-BOC-L-lysine
NSC 343721
α-N-Boc-lysine
N-α-(tert-Butoxycarbonyl)-L-lysine
(S)-6-Amino-2-(tert-butoxycarbonylamino)hexanoic acid
N-tert-Butoxycarbonyllysine
Nα-Boc-L-lysine
BOC-L-Lys-OH
(2S)-6-Amino-2-[[(tert-butoxy)carbonyl]amino]hexanoic acid
(2S)-6-Azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Identifiers:
SMILES:
CC(C)(C)OC(O)=N[C@@H](CCCCN)C(=O)O
InChI:
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
Key Properties
Melting Point
195-196 °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 |
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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 | 246.31 g/mol | CAS Common Chemistry |
| 246.30699999999993 g/mol | RDKit | |
| 246.157957184 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)O)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)6-4-5-7-12/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DQUHYEDEGRNAFO-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | 195-196 °C | CAS Common Chemistry |
| Name | α-tert-Butoxycarbonyl-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.14 Ų | RDKit |
| LogP | 1.2976999999999999 | RDKit |
| Molar Refractivity | 65.23100000000004 | RDKit |
