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Ethyl L-Glutamate
CAS: 1119-33-1 | C7H13NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1119-33-1
Molecular Formula:
C7H13NO4
Molecular Mass:
175.18 g/mol
Names and Synonyms:
Ethyl L-Glutamate
L-Glutamic acid, 5-ethyl ester
Glutamic acid, 5-ethyl ester, L-
γ-Ethyl L-glutamate
γ-Ethyl glutamate
L-Glutamic acid γ-ethyl ester
5-Ethyl L-glutamate
γ-Monoethyl glutamate
Ethyl L-glutamate
NSC 156977
NSC 16885
(2S)-2-Amino-5-ethoxy-5-oxopentanoic acid
Identifiers:
SMILES:
CCOC(=O)CC[C@H](N)C(=O)O
InChI:
InChI=1S/C7H13NO4/c1-2-12-6(9)4-3-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
Key Properties
Melting Point
191 °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 |
|---|
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 | 175.18 g/mol | CAS Common Chemistry |
| 175.18399999999997 g/mol | RDKit | |
| 175.084457896 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCC(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO4/c1-2-12-6(9)4-3-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XMQUEQJCYRFIQS-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 191 °C | CAS Common Chemistry |
| Name | Ethyl L-glutamate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.62 Ų | RDKit |
| LogP | -0.25840000000000024 | RDKit |
| Molar Refractivity | 41.4782 | RDKit |
