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Lysine Glutamate
CAS: 5408-52-6 | C11H23N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5408-52-6
Molecular Formula:
C11H23N3O6
Molecular Mass:
293.32 g/mol
Names and Synonyms:
Lysine Glutamate
L-Glutamic acid, compd. with L-lysine (1:1)
Glutamic acid, L-, compd. with L-lysine (1:1)
Lysine, L-, L-glutamate (1:1)
L-Lysine, L-glutamate (1:1)
Lysine glutamate
L-Glutamic acid mono-L-lysine salt
L-Lysine L-glutamate
NSC 10855
Identifiers:
SMILES:
NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChI:
InChI=1S/C6H14N2O2.C5H9NO4/c7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1
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 | 293.32 g/mol | CAS Common Chemistry |
| 293.158685456 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(N)C(=O)O.O=C(O)C(N)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O2.C5H9NO4/c7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/t5-;3-/m00/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HOMROMWVNDUGRI-RVZXSAGBSA-N | CAS Common Chemistry |
| Name | Lysine glutamate | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.95999999999998 Ų | RDKit |
| LogP | -1.2095999999999951 | RDKit |
| Molar Refractivity | 70.99760000000002 | RDKit |
