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Benzyloxycarbonyl-L-Proline
CAS: 1148-11-4 | C13H15NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1148-11-4
Molecular Formula:
C13H15NO4
Molecular Mass:
249.27 g/mol
Names and Synonyms:
Benzyloxycarbonyl-L-Proline
1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (2S)-
1,2-Pyrrolidinedicarboxylic acid, 1-benzyl ester, L-
1,2-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (S)-
N-Carbobenzoxy-L-proline
Benzyloxycarbonyl-L-proline
1-Carbobenzoxy-L-proline
N-(Benzyloxycarbonyl)-L-proline
1-(Benzyloxycarbonyl)-L-proline
Carbobenzoxy-S-proline
Carbobenzoxy-L-proline
Carbobenzyloxy-L-proline
N-Benzyloxycarbonyl-(S)-proline
N-(Carbobenzyloxy)-L-proline
Cbz-L-Pro-OH
(2S)-1,2-Pyrrolidinedicarboxylic acid 1-(phenylmethyl) ester
N-[(Phenylmethoxy)carbonyl]-L-proline
(S)-1-(Benzyloxycarbonyl)pyrrolidine-2-carboxylic acid
N-Cbz-L-proline
(2S)-1-(Benzyloxycarbonyl)pyrrolidine-2-carboxylic acid
(2S)-1-(Benzyloxycarbonyl)pyrrolidine-2-carboxylic acid
N-Carbobenzyloxy-(S)-proline
L-Cbz-Proline
(2S)-1-Phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Identifiers:
SMILES:
O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChI:
InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1
Key Properties
Melting Point
77 °C
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 | 249.27 g/mol | CAS Common Chemistry |
| 249.26600000000002 g/mol | RDKit | |
| 249.10010796 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1N(C(=O)OCC=2C=CC=CC2)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JXGVXCZADZNAMJ-NSHDSACASA-N | CAS Common Chemistry |
| Melting Point | 77 °C | CAS Common Chemistry |
| Name | Benzyloxycarbonyl-L-proline | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | 1.8722 | RDKit |
| Molar Refractivity | 63.99080000000003 | RDKit |
