Back to Search
Glycyl-L-Glutamine
CAS: 13115-71-4 | C7H13N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13115-71-4
Molecular Formula:
C7H13N3O4
Molecular Mass:
203.20 g/mol
Names and Synonyms:
Glycyl-L-Glutamine
(S)-5-Amino-2-(2-aminoacetamido)-5-oxopentanoic acid
L-Glutamine, glycyl-
Glutamine, N2-glycyl-, L-
L-Glutamine, N2-glycyl-
Glycyl-L-glutamine
105: PN: EP2161028 PAGE: 10 claimed protein
101: PN: WO2011146121 PAGE: 115 claimed sequence
143: PN: US20130123467 SEQID: 172 claimed protein
(2S)-2-(2-Aminoacetamido)-4-carbamoylbutanoic acid
(2S)-5-Amino-2-[(2-azaniumylacetyl)amino]-5-oxopentanoate
23: PN: WO2020009548 SEQID: 23 claimed protein
15: PN: WO2021055880 SEQID: 16 claimed protein
Identifiers:
SMILES:
N=C(O)CC[C@H](N=C(O)CN)C(=O)O
InChI:
InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1
Key Properties
Melting Point
202-203 °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 | 203.20 g/mol | CAS Common Chemistry |
| 203.19799999999998 g/mol | RDKit | |
| 203.090605896 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CCC(NC(=O)CN)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PNMUAGGSDZXTHX-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 202-203 °C | CAS Common Chemistry |
| Name | Glycyl-L-glutamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 139.98999999999998 Ų | RDKit |
| LogP | -0.32973000000000013 | RDKit |
| Molar Refractivity | 50.1315 | RDKit |
