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Molecule
N-Methyl-L-Proline
CAS: 475-11-6 · C6H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 475-11-6
- Molecular Formula
- C6H11NO2
- Molecular Mass
- 129.16 g/mol
Identifiers
CAS Registry Number
475-11-6
SMILES
CN1CCC[C@H]1C(=O)O
InChI Key
CWLQUGTUXBXTLF-YFKPBYRVSA-N
InChI
InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
Names and Synonyms
- N-Methyl-L-Proline Synonym
- L-Proline, 1-methyl- Synonym
- Proline, 1-methyl-, L- Synonym
- Hygric acid Synonym
- 1-Methyl-L-proline Synonym
- Hygrinic acid Synonym
- N-Methyl-L-proline Synonym
- (-)-Hygrinic acid Synonym
- (-)-Hygric acid Synonym
- N-Methylproline Synonym
- (2S)-1-Methyl-2-pyrrolidinecarboxylic acid Synonym
- (S)-1-Methylpyrrolidine-2-carboxylic acid Synonym
- (2S)-1-Methylpyrrolidine-2-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.16 g/mol | CAS Common Chemistry |
| 129.159 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1N(C)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CWLQUGTUXBXTLF-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 109-112 °C | CAS Common Chemistry |
| Name | N-Methyl-L-proline | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.540000000000006 Ų | RDKit |
| 40.54 Ų | RDKit | |
| 40.31 Ų | chempirical lib | |
| LogP | 0.16519999999999996 | RDKit |
| 0.1652 | RDKit | |
| Molar Refractivity | 33.28779999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 129.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 129.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11NO2.
