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Molecule
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
Identifiers
CAS Registry Number
13734-28-6
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCCN)C(=O)O
InChI Key
DQUHYEDEGRNAFO-QMMMGPOBSA-N
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
Names and Synonyms
- Α-Tert-Butoxycarbonyl-L-Lysine Synonym
- L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]- Synonym
- Lysine, N2-carboxy-, N2-tert-butyl ester, L- Synonym
- N2-[(1,1-Dimethylethoxy)carbonyl]-L-lysine Synonym
- N2-tert-Butoxycarbonyl-L-lysine Synonym
- BOC-Lys-OH Synonym
- α-N-tert-Butoxycarbonyl-L-lysine Synonym
- α-tert-Butoxycarbonyl-L-lysine Synonym
- Nα-BOC-L-lysine Synonym
- NSC 343721 Synonym
- α-N-Boc-lysine Synonym
- N-α-(tert-Butoxycarbonyl)-L-lysine Synonym
- (S)-6-Amino-2-(tert-butoxycarbonylamino)hexanoic acid Synonym
- N-tert-Butoxycarbonyllysine Synonym
- Nα-Boc-L-lysine Synonym
- BOC-L-Lys-OH Synonym
- (2S)-6-Amino-2-[[(tert-butoxy)carbonyl]amino]hexanoic acid Synonym
- (2S)-6-Azaniumyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.31 g/mol | CAS Common Chemistry |
| 246.30699999999993 g/mol | RDKit | |
| 246.307 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 |
| 1.2977 | RDKit | |
| Molar Refractivity | 65.23100000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 246.157957184 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 = 246.31 g/mol. Edit any field — others recompute live.
