Back to Search
Molecule
(Benzyloxycarbonyl)Glycyl-L-Proline
CAS: 1160-54-9 · C15H18N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1160-54-9
- Molecular Formula
- C15H18N2O5
- Molecular Mass
- 306.32 g/mol
Identifiers
CAS Registry Number
1160-54-9
SMILES
O=C(O)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1
InChI Key
ZTUKZKYDJMGJDC-LBPRGKRZSA-N
InChI
InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1
Names and Synonyms
- (Benzyloxycarbonyl)Glycyl-L-Proline Common Name
- L-Proline, N-[(phenylmethoxy)carbonyl]glycyl- Synonym
- Proline, 1-(N-carboxyglycyl)-, N-benzyl ester, L- Synonym
- L-Proline, 1-[N-[(phenylmethoxy)carbonyl]glycyl]- Synonym
- N-[(Phenylmethoxy)carbonyl]glycyl-L-proline Synonym
- Carbobenzoxyglycyl-L-proline Synonym
- (Benzyloxycarbonyl)glycyl-L-proline Synonym
- NSC 89634 Synonym
- Cbz-gly-pro-oh Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.32 g/mol | CAS Common Chemistry |
| 306.318 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NCC(=O)N2CCCC2C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZTUKZKYDJMGJDC-LBPRGKRZSA-N | CAS Common Chemistry |
| Melting Point | 156 °C | CAS Common Chemistry |
| Name | (Benzyloxycarbonyl)glycyl-L-proline | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 99.43 Ų | RDKit |
| 99.2 Ų | chempirical lib | |
| LogP | 1.1927999999999996 | RDKit |
| 1.1928 | RDKit | |
| Molar Refractivity | 78.53260000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 306.121571676 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 306.32 g/mol. Edit any field — others recompute live.
