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Molecule
Glycyl-L-Proline
CAS: 704-15-4 · C7H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 704-15-4
- Molecular Formula
- C7H12N2O3
- Molecular Mass
- 172.18 g/mol
Identifiers
CAS Registry Number
704-15-4
SMILES
NCC(=O)N1CCC[C@H]1C(=O)O
InChI Key
KZNQNBZMBZJQJO-YFKPBYRVSA-N
InChI
InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
Names and Synonyms
- Glycyl-L-Proline Common Name
- L-Proline, glycyl- Synonym
- Proline, 1-glycyl-, L- Synonym
- L-Proline, 1-glycyl- Synonym
- Glycyl-L-proline Synonym
- N-Glycyl-L-proline Synonym
- N-Glycylproline Synonym
- 1-Glycylproline Synonym
- 7: PN: WO03052099 PAGE: 83 claimed protein Synonym
- NSC 97929 Synonym
- (S)-1-(2-Aminoacetyl)pyrrolidine-2-carboxylic acid Synonym
- 152: PN: EP2161028 PAGE: 10 claimed protein Synonym
- 11: PN: CN101988058 SEQID: 11 claimed sequence Synonym
- 12: PN: WO2014063098 TABLE: 5 claimed sequence Synonym
- 81: PN: WO2011146121 PAGE: 115 claimed sequence Synonym
- 2: PN: WO2011150133 PAGE: 63 claimed sequence Synonym
- 132: PN: US20130123467 SEQID: 158 claimed protein Synonym
- 2: PN: TWI417385 SEQID: 11 claimed sequence Synonym
- 15: PN: WO2015153838 PAGE: 89 claimed sequence Synonym
- 4: PN: WO2016023974 PAGE: 31 claimed sequence Synonym
- 1: PN: WO2017060857 PAGE: 93 claimed sequence Synonym
- GP (peptide) Synonym
- 1: PN: JP2018145111 PAGE: 3 claimed sequence Synonym
- 19: PN: WO2020009548 SEQID: 19 claimed protein Synonym
- 3: PN: WO2020023418 PAGE: 66 claimed sequence Synonym
- 5: PN: WO2021055880 SEQID: 5 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.18 g/mol | CAS Common Chemistry |
| 172.184 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1N(C(=O)CN)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KZNQNBZMBZJQJO-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | Glycyl-L-proline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.63000000000001 Ų | RDKit |
| 83.63 Ų | RDKit | |
| 83.4 Ų | chempirical lib | |
| LogP | -0.9792999999999998 | RDKit |
| -0.9793 | RDKit | |
| Molar Refractivity | 41.42520000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 172.084792244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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 = 172.18 g/mol. Edit any field — others recompute live.
