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Glycylalanine
CAS: 926-77-2 | C5H10N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
926-77-2
Molecular Formula:
C5H10N2O3
Molecular Weight:
146.14600000000002 g/mol
Names and Synonyms:
Glycylalanine
Alanine, glycyl-
Alanine, N-glycyl-, DL-
DL-Alanine, N-glycyl-
Glycylalanine
Glycyl-DL-alanine
Gly-DL-Ala
Glycyl-DL-α-alanine
Glycyl-(RS)-alanine
2-[(2-Azaniumylacetyl)amino]propanoate
2-(2-Aminoacetamido)propanoic acid
Identifiers:
SMILES:
CC(N=C(O)CN)C(=O)O
InChI:
InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-melting-point | 192 °C None | Legacy Database |
| molecular_mass | 146.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(NC(=O)CN)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=VPZXBVLAVMBEQI-UHFFFAOYSA-N None | Legacy Database |
| LogP | -0.6252999999999991 | RDKit |
| cas-name | Glycylalanine None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.14600000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.06914218 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.21599999999999 | RDKit |
