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Glycylsarcosine
CAS: 29816-01-1 | C5H10N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29816-01-1
Molecular Formula:
C5H10N2O3
Molecular Mass:
146.15 g/mol
Names and Synonyms:
Glycylsarcosine
Glycine, glycyl-N-methyl-
Sarcosine, N-glycyl-
Glycine, N-glycyl-N-methyl-
Glycyl-N-methylglycine
Glycylsarcosine
NSC 206288
2-[(2-Aminoacetyl)-methylamino]acetic acid
2-(2-Amino-N-methylacetamido)acetic acid
Identifiers:
SMILES:
CN(CC(=O)O)C(=O)CN
InChI:
InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
Key Properties
Melting Point
200-201 °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 | 146.15 g/mol | CAS Common Chemistry |
| 146.14599999999996 g/mol | RDKit | |
| 146.06914218 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN(C(=O)CN)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=VYAMLSCELQQRAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-201 °C | CAS Common Chemistry |
| Name | Glycylsarcosine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.63000000000001 Ų | RDKit |
| LogP | -1.5118999999999982 | RDKit |
| Molar Refractivity | 34.32719999999999 | RDKit |
