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Glycyl-Dl-Valine
CAS: 2325-17-9 | C7H14N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2325-17-9
Molecular Formula:
C7H14N2O3
Molecular Mass:
174.20 g/mol
Names and Synonyms:
Glycyl-Dl-Valine
Valine, glycyl-
Valine, N-glycyl-, DL-
DL-Valine, N-glycyl-
Glycylvaline
Glycyl-DL-valine
NSC 122051
2-(2-Aminoacetamido)-3-methylbutanoic acid
2-(2-Aminoacetamido)-3-methylbutanoicacid
Identifiers:
SMILES:
CC(C)C(N=C(O)CN)C(=O)O
InChI:
InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)
Key Properties
Melting Point
173-174 °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 | 174.20 g/mol | CAS Common Chemistry |
| 174.2 g/mol | RDKit | |
| 174.100442308 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)CN)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=STKYPAFSDFAEPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173-174 °C | CAS Common Chemistry |
| Name | Glycyl-DL-valine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| LogP | 0.010800000000000365 | RDKit |
| Molar Refractivity | 45.38 | RDKit |
