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Molecule
Glutamic Acid
CAS: 617-65-2 · C5H9NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 617-65-2
- Molecular Formula
- C5H9NO4
- Molecular Mass
- 147.13 g/mol
Identifiers
CAS Registry Number
617-65-2
SMILES
NC(CCC(=O)O)C(=O)O
InChI Key
WHUUTDBJXJRKMK-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
Names and Synonyms
- Glutamic Acid Synonym
- Glutamic acid Synonym
- Glutamic acid, DL- Synonym
- DL-Glutamic acid Synonym
- (±)-Glutamic acid Synonym
- DL-Glu Synonym
- Glutaminic acid Synonym
- NSC 206301 Synonym
- 4-Amino-1,5-pentanedioic acid Synonym
- 2-Aminopentanedioic acid Synonym
- NSC 9967 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.13 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(N)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=WHUUTDBJXJRKMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199 °C (decomp) | CAS Common Chemistry |
| Name | Glutamic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.62000000000002 Ų | RDKit |
| 100.62 Ų | RDKit | |
| LogP | -0.7368999999999997 | RDKit |
| -0.7369 | RDKit | |
| Molar Refractivity | 32.480999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 147.053157768 g/mol | RDKit |
| Boiling Point | 94-97 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 147.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO4.
