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Glycyl-L-Valine
CAS: 1963-21-9 | C7H14N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1963-21-9
Molecular Formula:
C7H14N2O3
Molecular Mass:
174.20 g/mol
Names and Synonyms:
Glycyl-L-Valine
L-Valine, glycyl-
Valine, N-glycyl-, L-
L-Valine, N-glycyl-
Glycyl-L-valine
Glycylvaline
N-Glycyl-L-valine
NSC 163327
NSC 83255
48: PN: EP2161028 PAGE: 10 claimed protein
43: PN: WO2014063098 TABLE: 5 claimed sequence
158: PN: US20130123467 SEQID: 189 claimed protein
19: PN: WO2014120891 PAGE: 141 claimed sequence
4: PN: US20150203546 PAGE: 78 claimed sequence
(2S)-2-(2-Aminoacetamido)-3-methylbutanoic acid
(S)-2-(2-Aminoacetamido)-3-methylbutanoic acid
Identifiers:
SMILES:
CC(C)[C@H](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)/t6-/m0/s1
Key Properties
Melting Point
242-243 °C (decomp)
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)/t6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=STKYPAFSDFAEPH-LURJTMIESA-N | CAS Common Chemistry |
| Melting Point | 242-243 °C (decomp) | CAS Common Chemistry |
| Name | Glycyl-L-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 |
