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Molecule
Hydroxyproline
CAS: 51-35-4 · C5H9NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51-35-4
- Molecular Formula
- C5H9NO3
- Molecular Mass
- 131.13 g/mol
Identifiers
CAS Registry Number
51-35-4
SMILES
O=C(O)[C@@H]1C[C@@H](O)CN1
InChI Key
PMMYEEVYMWASQN-DMTCNVIQSA-N
InChI
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
Names and Synonyms
- Hydroxyproline Synonym
- L-Proline, 4-hydroxy-, (4R)- Synonym
- Proline, 4-hydroxy-, L- Synonym
- L-Proline, 4-hydroxy-, trans- Synonym
- (4R)-4-Hydroxy-L-proline Synonym
- Hydroxy-L-proline Synonym
- 4-Hydroxyproline Synonym
- 4(R)-Hydroxy-2(S)-pyrrolidinecarboxylic acid Synonym
- Hypro Synonym
- δ-Hydroxyproline Synonym
- 4-Hydroxy-L-proline Synonym
- trans-4-Hydroxyproline Synonym
- Hydroxyproline Synonym
- trans-4-Hydroxy-L-proline Synonym
- trans-L-Hydroxyproline Synonym
- 4-trans-Hydroxy-L-proline Synonym
- L-4-Hydroxyproline Synonym
- Ls-Hydroxyproline Synonym
- (2S,4R)-(-)-4-Hydroxyproline Synonym
- L-Hydroxyproline Synonym
- L-trans-4-Hydroxyproline Synonym
- (R)-4-Hydroxy-(S)-proline Synonym
- (S)-Hydroxyproline Synonym
- L-Hypro Synonym
- (-)-4-Hydroxy-2-pyrrolidinecarboxylic acid Synonym
- trans-L-4-Hydroxyproline Synonym
- (R)-4-Hydroxy-L-proline Synonym
- Proline, 4-hydroxy- Synonym
- (2S,4R)-4-Hydroxyproline Synonym
- NSC 46704 Synonym
- 4-Hydroxy-(S)-proline Synonym
- 4(R)-Hydroxyproline Synonym
- (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid Synonym
- (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid Synonym
- (4R,2S)-Hydroxyproline Synonym
- trans-(2S,4R)-4-Hydroxy-L-proline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.13 g/mol | CAS Common Chemistry |
| 131.131 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hydroxyproline | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1NCC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PMMYEEVYMWASQN-DMTCNVIQSA-N | CAS Common Chemistry |
| Melting Point | 274 °C | CAS Common Chemistry |
| Name | L-Hydroxyproline | CAS Common Chemistry |
| Hydroxyproline | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 69.56 Ų | RDKit |
| LogP | -1.2062 | RDKit |
| Molar Refractivity | 30.050299999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 131.058243148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 131.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9NO3.
