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Boc-L-Proline
CAS: 15761-39-4 | C10H17NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
15761-39-4
Molecular Formula:
C10H17NO4
Molecular Mass:
215.25 g/mol
Names and Synonyms:
Boc-L-Proline
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
1,2-Pyrrolidinedicarboxylic acid, 1-tert-butyl ester, L-
1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (S)-
1-tert-Butyloxycarbonyl-L-proline
1-tert-Butoxycarbonyl-L-proline
N-(tert-Butyloxycarbonyl)-L-proline
N-(tert-Butoxycarbonyl)-L-proline
BOC-L-Proline
N-(t-Butoxycarbonyl)proline
N-(tert-Butoxycarbonyl)-(S)-proline
N-[(1,1-Dimethylethoxy)carbonyl]-(S)-proline
N-Boc-(S)-proline
(S)-N-tert-Butoxycarbonylproline
1-(tert-Butoxycarbonyl)-(S)-proline
N-(tert-Butoxycarbonyl)proline
(2S)-1-tert-Butoxycarbonylpyrrolidine-2-carboxylic acid
(S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
NSC 164660
(S)-1-(tert-Butoxycarbonyl)-2-pyrrolidinecarboxylic acid
N-Boc-L-proline
(2S)-1,2-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester
(2S)-1-Boc-pyrrolidine-2-carboxylic acid
1-tert-Butyl (S)-pyrrolidine-1,2-dicarboxylate
L-N-Boc-proline
(S)-1-Boc-β-proline
1-(tert-Butoxycarbonyl)-(2S)-pyrrolidine-2-carboxylic acid
trans-N-(tert-Butoxycarbonyl)-4-hydroxy-L-proline
Boc-L-Pro
Boc-L-Pro-OH
(2S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Identifiers:
SMILES:
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O
InChI:
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
Key Properties
Melting Point
135-136 °C @ Solvent: Ethyl acetate, Ligroine
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 | 215.25 g/mol | CAS Common Chemistry |
| 215.24899999999997 g/mol | RDKit | |
| 215.115758024 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)N1CCCC1C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQEBQGAAWMOMAI-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 135-136 °C @ Solvent: Ethyl acetate, Ligroine | CAS Common Chemistry |
| Name | BOC-L-Proline | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | 1.4705000000000001 | RDKit |
| Molar Refractivity | 53.59780000000003 | RDKit |
