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Molecule
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
Identifiers
CAS Registry Number
29816-01-1
SMILES
CN(CC(=O)O)C(=O)CN
InChI Key
VYAMLSCELQQRAE-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)
Names and Synonyms
- Glycylsarcosine Synonym
- Glycine, glycyl-N-methyl- Synonym
- Sarcosine, N-glycyl- Synonym
- Glycine, N-glycyl-N-methyl- Synonym
- Glycyl-N-methylglycine Synonym
- Glycylsarcosine Synonym
- NSC 206288 Synonym
- 2-[(2-Aminoacetyl)-methylamino]acetic acid Synonym
- 2-(2-Amino-N-methylacetamido)acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Glycylsarcosine | CAS Common Chemistry |
| Molecular Mass | 146.15 g/mol | CAS Common Chemistry |
| 146.14599999999996 g/mol | RDKit | |
| 146.146 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 |
| 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 |
| 83.63 Ų | RDKit | |
| 83.4 Ų | chempirical lib | |
| LogP | -1.5118999999999982 | RDKit |
| -1.5119 | RDKit | |
| Molar Refractivity | 34.32719999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 146.06914218 g/mol | RDKit |
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.
