Back to Search
D-Proline Methyl Ester
CAS: 43041-12-9 | C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
43041-12-9
Molecular Formula:
C6H11NO2
Molecular Mass:
129.16 g/mol
Names and Synonyms:
D-Proline Methyl Ester
D-Proline, methyl ester
D-Proline methyl ester
(R)-Proline methyl ester
Methyl D-prolinate
(R)-Pyrrolidine-2-carboxylic acid methyl ester
(R)-2-(Methoxycarbonyl)pyrrolidine
(R)-Pyrrolidine-2-carboxylic acid methyl ester
Methyl (R)-pyrrolidine-2-carboxylate
(R)-Methyl pyrrolidine-2-carboxylate
Methyl (2R)-pyrrolidine-2-carboxylate
Identifiers:
SMILES:
COC(=O)[C@H]1CCCN1
InChI:
InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1
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 | 129.16 g/mol | CAS Common Chemistry |
| 129.15900000000002 g/mol | RDKit | |
| 129.078978592 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C1NCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BLWYXBNNBYXPPL-RXMQYKEDSA-N | CAS Common Chemistry |
| Name | D-Proline methyl ester | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.33 Ų | RDKit |
| LogP | -0.08860000000000018 | RDKit |
| Molar Refractivity | 33.04069999999999 | RDKit |
