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N-Methyl-L-Proline
CAS: 475-11-6 | C6H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
475-11-6
Molecular Formula:
C6H11NO2
Molecular Weight:
129.159 g/mol
Names and Synonyms:
N-Methyl-L-Proline
L-Proline, 1-methyl-
Proline, 1-methyl-, L-
Hygric acid
1-Methyl-L-proline
Hygrinic acid
N-Methyl-L-proline
(-)-Hygrinic acid
(-)-Hygric acid
N-Methylproline
(2S)-1-Methyl-2-pyrrolidinecarboxylic acid
(S)-1-Methylpyrrolidine-2-carboxylic acid
(2S)-1-Methylpyrrolidine-2-carboxylic acid
Identifiers:
SMILES:
CN1CCC[C@H]1C(=O)O
InChI:
InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.16 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1N(C)CCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CWLQUGTUXBXTLF-YFKPBYRVSA-N None | Legacy Database |
| cas-melting-point | 109-112 °C None | Legacy Database |
| cas-name | N-Methyl-L-proline None | Legacy Database |
| LogP | 0.16519999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.159 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.28779999999998 | RDKit |
