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Molecule
1-(2-Phenylacetyl)-L-Prolylglycine Ethy Ester
CAS: 157115-85-0 · C17H22N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 157115-85-0
- Molecular Formula
- C17H22N2O4
- Molecular Mass
- 318.37 g/mol
Identifiers
CAS Registry Number
157115-85-0
SMILES
CCOC(=O)CN=C(O)[C@@H]1CCCN1C(=O)Cc1ccccc1
InChI Key
PJNSMUBMSNAEEN-AWEZNQCLSA-N
InChI
InChI=1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m0/s1
Names and Synonyms
- 1-(2-Phenylacetyl)-L-Prolylglycine Ethy Ester Synonym
- Glycine, 1-(2-phenylacetyl)-L-prolyl-, ethyl ester Synonym
- Glycine, N-[1-(phenylacetyl)-L-prolyl]-, ethyl ester Synonym
- Glycine, 1-(phenylacetyl)-L-prolyl-, ethyl ester Synonym
- 1-(2-Phenylacetyl)-L-prolylglycine ethy ester Synonym
- GVS 111 Synonym
- Noopept Synonym
- SGS 111 Synonym
- Omberacetam Synonym
- (S)-Ethyl 2-(1-(2-phenylacetyl)pyrrolidine-2-carboxamido)acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.37 g/mol | CAS Common Chemistry |
| 318.373 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)CNC(=O)C1N(C(=O)CC=2C=CC=CC2)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PJNSMUBMSNAEEN-AWEZNQCLSA-N | CAS Common Chemistry |
| Name | 1-(2-Phenylacetyl)-L-prolylglycine ethy ester | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.2 Ų | RDKit |
| 78.97 Ų | chempirical lib | |
| LogP | 1.7396999999999996 | RDKit |
| 1.7397 | RDKit | |
| Molar Refractivity | 86.44480000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4706 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 318.157957184 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 318.37 g/mol. Edit any field — others recompute live.
