Back to Search
Glycylserine
CAS: 687-38-7 | C5H10N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
687-38-7
Molecular Formula:
C5H10N2O4
Molecular Mass:
162.15 g/mol
Names and Synonyms:
Glycylserine
Serine, glycyl-
Serine, N-glycyl-, DL-
DL-Serine, N-glycyl-
Glycylserine
Glycyl-DL-serine
NSC 163326
2-(2-Aminoacetamido)-3-hydroxypropanoic acid
Identifiers:
SMILES:
NCC(O)=NC(CO)C(=O)O
InChI:
InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11)
Key Properties
Melting Point
207 °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 | 162.15 g/mol | CAS Common Chemistry |
| 162.14499999999998 g/mol | RDKit | |
| 162.0640568 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)CN)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O4/c6-1-4(9)7-3(2-8)5(10)11/h3,8H,1-2,6H2,(H,7,9)(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=BCCRXDTUTZHDEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 207 °C | CAS Common Chemistry |
| Name | Glycylserine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 116.14 Ų | RDKit |
| LogP | -1.6529 | RDKit |
| Molar Refractivity | 37.62780000000001 | RDKit |
