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Sodium Pyroglutamate
CAS: 28874-51-3 | C5H7NNaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28874-51-3
Molecular Formula:
C5H7NNaO3
Molecular Mass:
152.11 g/mol
Names and Synonyms:
Sodium Pyroglutamate
L-Proline, 5-oxo-, sodium salt (1:1)
Proline, 5-oxo-, monosodium salt, L-
L-Proline, 5-oxo-, monosodium salt
2-Pyrrolidinone-5-carboxylic acid sodium salt
Sodium 2-pyrrolidinone-5-carboxylate
Sodium 2-oxo-5-pyrrolidinecarboxylate
5-Carboxy-2-pyrrolidone sodium salt
Sodium 2-pyrrolidone-5-carboxylate
Sodium L-pyroglutamate
2-Pyrrolidone-5-carboxylic acid sodium salt
Sodium pyrrolidone-5-carboxylate
Sodium L-pyrrolidonecarboxylate
Sodium pidolate
Sodium pyroglutamate
Ajidew NL 50
PDSI 101
Prodew 300
Monosodium L-pyroglutamate
NL 50
Identifiers:
SMILES:
O=C(O)[C@@H]1CCC(O)=N1.[Na]
InChI:
InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/t3-;/m0./s1
Key Properties
Melting Point
42 °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 | 152.11 g/mol | CAS Common Chemistry |
| 152.10500000000002 g/mol | RDKit | |
| 152.032362364 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C1NC(C(=O)O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NO3.Na/c7-4-2-1-3(6-4)5(8)9;/h3H,1-2H2,(H,6,7)(H,8,9);/t3-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XCNILYKGVJTUMZ-DFWYDOINSA-N | CAS Common Chemistry |
| Melting Point | 42 °C | CAS Common Chemistry |
| Name | Sodium pyroglutamate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | -0.1908999999999999 | RDKit |
| Molar Refractivity | 36.4756 | RDKit |
