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Molecule
L-Proline, 4-Hydroxy-, Ethyl Ester, Hydrochloride (1:1), (4R)-
CAS: 33996-30-4 · C7H14ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33996-30-4
- Molecular Formula
- C7H14ClNO3
- Molecular Mass
- 195.65 g/mol
Identifiers
CAS Registry Number
33996-30-4
SMILES
CCOC(=O)[C@@H]1C[C@@H](O)CN1.Cl
InChI Key
HHXSZDXMSRXWJV-IBTYICNHSA-N
InChI
InChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1
Names and Synonyms
- L-Proline, 4-Hydroxy-, Ethyl Ester, Hydrochloride (1:1), (4R)- Synonym
- L-Proline, 4-hydroxy-, ethyl ester, hydrochloride (1:1), (4R)- Synonym
- Proline, 4-hydroxy-, ethyl ester, hydrochloride, L- Synonym
- L-Proline, 4-hydroxy-, ethyl ester, hydrochloride, trans- Synonym
- L-Proline, 4-hydroxy-, ethyl ester, hydrochloride, (4R)- Synonym
- Hydroxyproline ethyl ester hydrochloride Synonym
- L-Hydroxyproline ethyl ester hydrochloride Synonym
- 4-Hydroxy-L-proline ethyl ester hydrochloride Synonym
- (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid ethyl ester hydrochloride Synonym
- trans-4-Hydroxy-L-proline ethyl ester hydrochloride Synonym
- L-4-Hydroxyproline ethyl ester hydrochloride salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.65 g/mol | CAS Common Chemistry |
| 195.64600000000002 g/mol | RDKit | |
| 195.646 g/mol | RDKit | |
| 195.643 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(OCC)C1NCC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HHXSZDXMSRXWJV-IBTYICNHSA-N | CAS Common Chemistry |
| Melting Point | 150 °C | CAS Common Chemistry |
| Name | L-Proline, 4-hydroxy-, ethyl ester, hydrochloride (1:1), (4R)- | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.56 Ų | RDKit |
| LogP | -0.3059000000000001 | RDKit |
| -0.3059 | RDKit | |
| Molar Refractivity | 46.295500000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 195.066220988 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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20
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| 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 = 195.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H14ClNO3.
