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Molecule
Glycyl-L-Alanine
CAS: 3695-73-6 · C5H10N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3695-73-6
- Molecular Formula
- C5H10N2O3
- Molecular Mass
- 146.15 g/mol
Identifiers
CAS Registry Number
3695-73-6
SMILES
C[C@H](N=C(O)CN)C(=O)O
InChI Key
VPZXBVLAVMBEQI-VKHMYHEASA-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)/t3-/m0/s1
Names and Synonyms
- Glycyl-L-Alanine Common Name
- L-Alanine, glycyl- Synonym
- Alanine, N-glycyl-, L- Synonym
- L-Alanine, N-glycyl- Synonym
- Glycyl-L-alanine Synonym
- Glycylalanine Synonym
- Glycine-alanine dipeptide Synonym
- N-Glycyl-L-alanine Synonym
- Glycyl-(S)-alanine Synonym
- NSC 83246 Synonym
- 123: PN: WO2006024694 SEQID: 123 claimed protein Synonym
- 121: PN: US20070015162 SEQID: 131 claimed protein Synonym
- 279: PN: US20070032414 SEQID: 279 claimed protein Synonym
- 285: PN: US20070026454 SEQID: 295 claimed protein Synonym
- 444: PN: US20070042361 SEQID: 454 claimed protein Synonym
- 198: PN: EP2161028 PAGE: 10 claimed protein Synonym
- 76: PN: WO2011084714 SEQID: 79 claimed sequence Synonym
- 21: PN: WO2011146121 PAGE: 114 claimed sequence Synonym
- 12: PN: WO2012061268 SEQID: 12 claimed protein Synonym
- 5: PN: US20150203546 PAGE: 78 claimed sequence Synonym
- 92: PN: WO2017078631 PAGE: 50 claimed protein Synonym
- (2S)-2-(2-Aminoacetamido)propanoic acid Synonym
- (2S)-2-[(2-Azaniumylacetyl)amino]propanoate Synonym
- 1: PN: WO2020023418 PAGE: 66 claimed sequence Synonym
- 4: PN: WO2021055880 SEQID: 4 claimed protein 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)/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VPZXBVLAVMBEQI-VKHMYHEASA-N | CAS Common Chemistry |
| Melting Point | 228 °C (decomp) | CAS Common Chemistry |
| Name | Glycyl-L-alanine | 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 |
| Density | 1.1562-1.1584 g/cm3 @ 25.00 °C | CAS Common Chemistry |
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.
