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Molecule
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
Identifiers
CAS Registry Number
687-38-7
SMILES
NCC(O)=NC(CO)C(=O)O
InChI Key
BCCRXDTUTZHDEU-UHFFFAOYSA-N
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)
Names and Synonyms
- Glycylserine Common Name
- Serine, glycyl- Synonym
- Serine, N-glycyl-, DL- Synonym
- DL-Serine, N-glycyl- Synonym
- Glycylserine Synonym
- Glycyl-DL-serine Synonym
- NSC 163326 Synonym
- 2-(2-Aminoacetamido)-3-hydroxypropanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.15 g/mol | CAS Common Chemistry |
| 162.14499999999998 g/mol | RDKit | |
| 162.145 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 162.0640568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 162.15 g/mol. Edit any field — others recompute live.
