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Molecule
N-Α-Benzyloxycarbonyl-L-Lysine
CAS: 2212-75-1 · C14H20N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2212-75-1
- Molecular Formula
- C14H20N2O4
- Molecular Mass
- 280.32 g/mol
Identifiers
CAS Registry Number
2212-75-1
SMILES
NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChI Key
OJTJKAUNOLVMDX-LBPRGKRZSA-N
InChI
InChI=1S/C14H20N2O4/c15-9-5-4-8-12(13(17)18)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
Names and Synonyms
- N-Α-Benzyloxycarbonyl-L-Lysine Common Name
- L-Lysine, N2-[(phenylmethoxy)carbonyl]- Synonym
- Lysine, N2-carboxy-, N2-benzyl ester, L- Synonym
- Lysine, N2-carboxy-, N-benzyl ester Synonym
- L-Lysine, N2-carboxy-, N-benzyl ester Synonym
- N2-[(Phenylmethoxy)carbonyl]-L-lysine Synonym
- N-α-Benzyloxycarbonyl-L-lysine Synonym
- α-Carbobenzoxy-L-lysine Synonym
- Nα-(Benzyloxycarbonyl)lysine Synonym
- α-N-Benzyloxycarbonyl-L-lysine Synonym
- N2-Carboxylysine N2-benzyl ester Synonym
- N-α-Carbobenzoxy-L-lysine Synonym
- N2-Benzyloxycarbonyllysine Synonym
- N2-Benzyloxycarbonyl-L-lysine Synonym
- N-α-Z-L-Lysine Synonym
- Nα-Cbz-Lysine Synonym
- Cbz-L-Lys-OH Synonym
- (2S)-6-Azaniumyl-2-(phenylmethoxycarbonylamino)hexanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.32 g/mol | CAS Common Chemistry |
| 280.324 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C14H20N2O4/c15-9-5-4-8-12(13(17)18)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=OJTJKAUNOLVMDX-LBPRGKRZSA-N | CAS Common Chemistry |
| Melting Point | 248-250 °C @ Solvent: Water | CAS Common Chemistry |
| Name | N-α-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 | 1.6994000000000002 | RDKit |
| 1.6994 | RDKit | |
| Molar Refractivity | 75.62400000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 280.14230712 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 280.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H20N2O4.
