Back to Search
Glycylphenylalanine
CAS: 721-66-4 | C11H14N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
721-66-4
Molecular Formula:
C11H14N2O3
Molecular Mass:
222.24 g/mol
Names and Synonyms:
Glycylphenylalanine
Phenylalanine, glycyl-
Alanine, N-glycyl-3-phenyl-, DL-
Phenylalanine, N-glycyl-
Glycylphenylalanine
Glycyl-DL-phenylalanine
NSC 122028
2-((2-Aminoacetyl)amino)-3-phenylpropanoic acid
2-(2-Aminoacetamido)-3-phenylpropanoic acid
Identifiers:
SMILES:
NCC(O)=NC(Cc1ccccc1)C(=O)O
InChI:
InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)
Key Properties
Melting Point
260 °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 | 222.24 g/mol | CAS Common Chemistry |
| 222.244 g/mol | RDKit | |
| 222.100442308 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)CN)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=JBCLFWXMTIKCCB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 260 °C (decomp) | CAS Common Chemistry |
| Name | Glycylphenylalanine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| LogP | 0.5974999999999997 | RDKit |
| Molar Refractivity | 60.688000000000024 | RDKit |
