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Molecule
L-Arginine L-Pyroglutamate
CAS: 56265-06-6 · C11H21N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56265-06-6
- Molecular Formula
- C11H21N5O5
- Molecular Mass
- 303.32 g/mol
Identifiers
CAS Registry Number
56265-06-6
SMILES
N=C(N)NCCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCC(O)=N1
InChI Key
UYCAGRPOUWSBIQ-WOYAITHZSA-N
InChI
InChI=1S/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t4-;3-/m00/s1
Names and Synonyms
- L-Arginine L-Pyroglutamate Synonym
- L-Proline, 5-oxo-, compd. with L-arginine (1:1) Synonym
- L-Arginine, compd. with 5-oxo-L-proline (1:1) Synonym
- Arginine pyroglutamate Synonym
- Arginine PCA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.32 g/mol | CAS Common Chemistry |
| 303.3190000000001 g/mol | RDKit | |
| 303.319 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/L-Arginine_L-pyroglutamate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCCNC(=N)N.O=C(O)C1NC(=O)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)/t4-;3-/m00/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UYCAGRPOUWSBIQ-WOYAITHZSA-N | CAS Common Chemistry |
| Name | Arginine PCA | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 195.11 Ų | RDKit |
| 183.26 Ų | chempirical lib | |
| LogP | -1.1485299999999976 | RDKit |
| -1.1485 | RDKit | |
| Molar Refractivity | 75.48360000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6364 | RDKit |
| 0.64 | chempirical lib | |
| Exact Mass | 303.154268772 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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 = 303.32 g/mol. Edit any field — others recompute live.
