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Molecule
(-)-Glutamic Acid
CAS: 6893-26-1 · C5H9NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6893-26-1
- Molecular Formula
- C5H9NO4
- Molecular Mass
- 147.13 g/mol
Identifiers
CAS Registry Number
6893-26-1
SMILES
N[C@H](CCC(=O)O)C(=O)O
InChI Key
WHUUTDBJXJRKMK-GSVOUGTGSA-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)/t3-/m1/s1
Names and Synonyms
- (-)-Glutamic Acid Common Name
- D-Glutamic acid Synonym
- Glutamic acid, D- Synonym
- (R)-(-)-Glutamic acid Synonym
- (R)-Glutamic acid Synonym
- (2R)-2-Aminopentanedioic acid Synonym
- (-)-Glutamic acid Synonym
- D-(-)-Glutamic acid Synonym
- (2R)-Glutamic acid Synonym
- NSC 77686 Synonym
- (2R)-2-Aminopentanedioic acid 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)/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WHUUTDBJXJRKMK-GSVOUGTGSA-N | CAS Common Chemistry |
| Melting Point | 201 °C | 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 |
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.
