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Molecule
Γ-Glutamyl-P-Nitroanilide
CAS: 7300-59-6 · C11H13N3O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7300-59-6
- Molecular Formula
- C11H13N3O5
- Molecular Mass
- 267.24 g/mol
Identifiers
CAS Registry Number
7300-59-6
SMILES
N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O
InChI Key
WMZTYIRRBCGARG-VIFPVBQESA-N
InChI
InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
Names and Synonyms
- Γ-Glutamyl-P-Nitroanilide Synonym
- L-Glutamine, N-(4-nitrophenyl)- Synonym
- Glutaranilic acid, 2-amino-4′-nitro-, L- Synonym
- N-(4-Nitrophenyl)-L-glutamine Synonym
- γ-L-Glutamyl-p-nitroanilide Synonym
- γ-Glutamyl-p-nitroanilide Synonym
- L-Glutamic acid γ-p-nitroanilide Synonym
- L-γ-Glutamyl-p-nitroanilide Synonym
- L-Glutamyl-4-nitroanilide Synonym
- γ-L-Glu-p-nitroanilide Synonym
- (2S)-2-Azaniumyl-5-(4-nitroanilino)-5-oxopentanoate Synonym
- (S)-2-Amino-5-((4-nitrophenyl)amino)-5-oxopentanoicacid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.24 g/mol | CAS Common Chemistry |
| 267.241 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCC(=O)NC1=CC=C(C=C1)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WMZTYIRRBCGARG-VIFPVBQESA-N | CAS Common Chemistry |
| Name | γ-Glutamyl-p-nitroanilide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 135.56 Ų | RDKit |
| 130.72 Ų | chempirical lib | |
| LogP | 0.7253999999999994 | RDKit |
| 0.7254 | RDKit | |
| Molar Refractivity | 66.57130000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 267.08552051600003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 267.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13N3O5.
