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Molecule
L-Pyroglutamic Acid
CAS: 98-79-3 · C5H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 98-79-3
- Molecular Formula
- C5H7NO3
- Molecular Mass
- 129.12 g/mol
Identifiers
CAS Registry Number
98-79-3
SMILES
O=C(O)[C@@H]1CCC(O)=N1
InChI Key
ODHCTXKNWHHXJC-VKHMYHEASA-N
InChI
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
Names and Synonyms
- L-Pyroglutamic Acid Common Name
- L-Proline, 5-oxo- Synonym
- Proline, 5-oxo-, L- Synonym
- 5-Oxo-L-proline Synonym
- L-5-Carboxy-2-pyrrolidinone Synonym
- L-Pyroglutamic acid Synonym
- L-Pyrrolidonecarboxylic acid Synonym
- L-Pyrrolidinonecarboxylic acid Synonym
- L-5-Oxoproline Synonym
- (-)-Pyroglutamic acid Synonym
- Glutimic acid Synonym
- Glutiminic acid Synonym
- (S)-(-)-γ-Butyrolactam-γ-carboxylic acid Synonym
- 2-Pyrrolidinone-5-carboxylic acid Synonym
- Pyroglutamic acid Synonym
- Oxoproline Synonym
- Pyrrolidinonecarboxylic acid Synonym
- 5-Oxoproline Synonym
- Pyrrolidonecarboxylic acid Synonym
- Pyrrolidone-5-carboxylic acid Synonym
- L-2-Pyrrolidone-5-carboxylic acid Synonym
- 5-Pyrrolidinone-2-carboxylic acid Synonym
- L-5-Oxo-2-pyrrolidinecarboxylic acid Synonym
- 5-Carboxy-2-pyrrolidinone Synonym
- L-Glutamic acid, γ-lactam Synonym
- PCA Synonym
- Ajidew A 100 Synonym
- 2-L-Pyrrolidone-5-carboxylic acid Synonym
- L-Glutimic acid Synonym
- L-Glutiminic acid Synonym
- (S)-Pyroglutamic acid Synonym
- (S)-5-Oxo-2-pyrrolidinecarboxylic acid Synonym
- Pidolic acid Synonym
- (-)-2-Pyrrolidone-5-carboxylic acid Synonym
- (5S)-2-Oxopyrrolidine-5-carboxylic acid Synonym
- (S)-(-)-2-Pyrrolidone-5-carboxylic acid Synonym
- (S)-2-Pyrrolidone-5-carboxylic acid Synonym
- Pidolidone Synonym
- 2-Oxopyrrolidine-5(S)-carboxylic acid Synonym
- Oxopyrrolidinecarboxylic acid Synonym
- NSC 143034 Synonym
- (2S)-5-Oxopyrrolidine-2-carboxylic acid Synonym
- PCA 50 Synonym
- (S)-5-Oxoproline Synonym
- L-(-)-Pyroglutamic acid Synonym
- (S)-5-Oxo-1H-pyrrolidine-2-carboxylic acid Synonym
- Pyroglutamine Synonym
- L-Pyroglutamine Synonym
- Take Off Booster Synonym
- VLS 3000-01 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.12 g/mol | CAS Common Chemistry |
| 129.115 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1NC(=O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H7NO3/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=ODHCTXKNWHHXJC-VKHMYHEASA-N | CAS Common Chemistry |
| Melting Point | 184.7 °C | CAS Common Chemistry |
| Name | L-Pyroglutamic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 0.18990000000000012 | RDKit |
| 0.1899 | RDKit | |
| Molar Refractivity | 30.72159999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 129.042593084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 129.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H7NO3.
