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Cis-4-Hydroxy-L-Proline
CAS: 618-27-9 | C5H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
618-27-9
Molecular Formula:
C5H9NO3
Molecular Weight:
131.131 g/mol
Names and Synonyms:
Cis-4-Hydroxy-L-Proline
allo-Hydroxy-L-proline
cis-4-Hydroxyproline
allo-L-Hydroxyproline
allo-4-Hydroxyproline
4-cis-Hydroxy-L-proline
L-Proline, allo-hydroxy-
L-Proline, 4-hydroxy-, (4S)-
Proline, 4-allo-hydroxy-, L-
L-Proline, 4-hydroxy-, cis-
Proline, 4-allo-hydroxy-
(4S)-4-Hydroxy-L-proline
cis-Hydroxyproline
L-allo-4-Hydroxyproline
L-Allohydroxyproline
L-allo-Hydroxyproline
(S)-allo-Hydroxyproline
(2S,4S)-4-Hydroxyproline
L-cis-4-Hydroxyproline
4(S)-Hydroxy-2(S)-pyrrolidinecarboxylic acid
cis-4-Hydroxy-L-proline
NSC 206274
(2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid
H-Cis-Hyp-OH
(2S,4S)-4-Hydroxypyrrolidine-2-carboxylic acid
Identifiers:
SMILES:
O=C(O)[C@@H]1C[C@H](O)CN1
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-/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 | 131.13 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1NCC(O)C1 None | Legacy Database |
| cas-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-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=PMMYEEVYMWASQN-IMJSIDKUSA-N None | Legacy Database |
| cas-melting-point | 250.0-252.0 °C (decomp) None | Legacy Database |
| cas-name | cis-4-Hydroxy-L-proline None | Legacy Database |
| LogP | -1.2062 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.050299999999993 | RDKit |
