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Molecule
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
Identifiers
CAS Registry Number
5408-52-6
SMILES
NCCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O
InChI Key
HOMROMWVNDUGRI-RVZXSAGBSA-N
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
Names and Synonyms
- Lysine Glutamate Common Name
- L-Glutamic acid, compd. with L-lysine (1:1) Synonym
- Glutamic acid, L-, compd. with L-lysine (1:1) Synonym
- Lysine, L-, L-glutamate (1:1) Synonym
- L-Lysine, L-glutamate (1:1) Synonym
- Lysine glutamate Synonym
- L-Glutamic acid mono-L-lysine salt Synonym
- L-Lysine L-glutamate Synonym
- NSC 10855 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 293.32 g/mol | CAS Common Chemistry |
| 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 |
| 189.96 Ų | RDKit | |
| LogP | -1.2095999999999951 | RDKit |
| -1.2096 | RDKit | |
| Molar Refractivity | 70.99760000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 293.158685456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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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.
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MW = 293.32 g/mol. Edit any field — others recompute live.
