Back to Search
Trans-3-Hydroxy-L-Proline
CAS: 4298-08-2 | C5H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4298-08-2
Molecular Formula:
C5H9NO3
Molecular Weight:
131.131 g/mol
Names and Synonyms:
Trans-3-Hydroxy-L-Proline
L-Proline, 3-hydroxy-, (3S)-
Proline, 3-hydroxy-, L-trans-
L-Proline, 3-hydroxy-, trans-
(3S)-3-Hydroxy-L-proline
trans-3-Hydroxy-L-proline
trans-3-Hydroxyproline
(2S,3S)-(-)-3-Hydroxy-L-proline
(2S,3S)-3-Hydroxyproline
(3S)-3-Hydroxy-L-proline
(2S,3S)-3-Hydroxypyrrolidine-2-carboxylic acid
Identifiers:
SMILES:
O=C(O)[C@H]1NCC[C@@H]1O
InChI:
InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 131.131 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.058243148 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 69.56 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2062000000000004 | RDKit |
| molecular_mass | 131.13 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1NCCC1O None | Legacy Database |
| cas-inchi | InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=BJBUEDPLEOHJGE-IMJSIDKUSA-N None | Legacy Database |
| cas-melting-point | 228-236 °C None | Legacy Database |
| cas-name | trans-3-Hydroxy-L-proline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.050299999999993 | RDKit |
