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Molecule
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 Mass
- 146.15 g/mol
Identifiers
CAS Registry Number
926-77-2
SMILES
CC(N=C(O)CN)C(=O)O
InChI Key
VPZXBVLAVMBEQI-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10)
Names and Synonyms
- Glycylalanine Synonym
- Alanine, glycyl- Synonym
- Alanine, N-glycyl-, DL- Synonym
- DL-Alanine, N-glycyl- Synonym
- Glycylalanine Synonym
- Glycyl-DL-alanine Synonym
- Gly-DL-Ala Synonym
- Glycyl-DL-α-alanine Synonym
- Glycyl-(RS)-alanine Synonym
- 2-[(2-Azaniumylacetyl)amino]propanoate Synonym
- 2-(2-Aminoacetamido)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.15 g/mol | CAS Common Chemistry |
| 146.14600000000002 g/mol | RDKit | |
| 146.146 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)CN)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O3/c1-3(5(9)10)7-4(8)2-6/h3H,2,6H2,1H3,(H,7,8)(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=VPZXBVLAVMBEQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192 °C | CAS Common Chemistry |
| Name | Glycylalanine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| 95.91 Ų | RDKit | |
| LogP | -0.6252999999999991 | RDKit |
| -0.6253 | RDKit | |
| Molar Refractivity | 36.21599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 146.06914218 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 146.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10N2O3.
