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Glutamic Acid
CAS: 617-65-2 | C5H9NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
617-65-2
Molecular Formula:
C5H9NO4
Molecular Weight:
147.13 g/mol
Names and Synonyms:
Glutamic Acid
Glutamic acid
Glutamic acid, DL-
DL-Glutamic acid
(±)-Glutamic acid
DL-Glu
Glutaminic acid
NSC 206301
4-Amino-1,5-pentanedioic acid
2-Aminopentanedioic acid
NSC 9967
Identifiers:
SMILES:
NC(CCC(=O)O)C(=O)O
InChI:
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 147.13 g/mol | Legacy Database |
| cas-boiling-point | 94-97 °C @ Press: 3 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)CCC(N)C(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=WHUUTDBJXJRKMK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 199 °C (decomp) None | Legacy Database |
| cas-name | Glutamic acid None | Legacy Database |
| LogP | -0.7368999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.13 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.053157768 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 100.62000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.480999999999995 | RDKit |
