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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 Weight:
146.14600000000002 g/mol
Names and Synonyms:
Glycyl-L-Alanine
4: PN: WO2021055880 SEQID: 4 claimed protein
1: PN: WO2020023418 PAGE: 66 claimed sequence
(2S)-2-[(2-Azaniumylacetyl)amino]propanoate
(2S)-2-(2-Aminoacetamido)propanoic acid
92: PN: WO2017078631 PAGE: 50 claimed protein
5: PN: US20150203546 PAGE: 78 claimed sequence
12: PN: WO2012061268 SEQID: 12 claimed protein
21: PN: WO2011146121 PAGE: 114 claimed sequence
76: PN: WO2011084714 SEQID: 79 claimed sequence
198: PN: EP2161028 PAGE: 10 claimed protein
444: PN: US20070042361 SEQID: 454 claimed protein
285: PN: US20070026454 SEQID: 295 claimed protein
279: PN: US20070032414 SEQID: 279 claimed protein
121: PN: US20070015162 SEQID: 131 claimed protein
123: PN: WO2006024694 SEQID: 123 claimed protein
NSC 83246
Glycyl-(S)-alanine
N-Glycyl-L-alanine
Glycine-alanine dipeptide
Glycylalanine
Glycyl-L-alanine
L-Alanine, N-glycyl-
Alanine, N-glycyl-, L-
L-Alanine, glycyl-
Identifiers:
SMILES:
C[C@H](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)/t3-/m0/s1
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.6252999999999991 | RDKit |
| molecular_mass | 146.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(NC(=O)CN)C None | Legacy Database |
| cas-density | 1.1562-1.1584 g/cm3 @ Temp: 25.00 °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)/t3-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=VPZXBVLAVMBEQI-VKHMYHEASA-N None | Legacy Database |
| cas-melting-point | 228 °C (decomp) None | Legacy Database |
| cas-name | Glycyl-L-alanine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.21599999999999 | RDKit |
