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Methionine
CAS: 63-68-3 | C5H11NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
63-68-3
Molecular Formula:
C5H11NO2S
Molecular Weight:
149.215 g/mol
Names and Synonyms:
Methionine
(2S)-2-Amino-4-(methylsulfanyl)butanoic acid
(2S)-2-Azaniumyl-4-methylsulfanylbutanoate
Meth-o-Tas
Methiorep
Secretory peptide (human clone HTXDU73)
S-Methyl-L-homocysteine
NSC 22946
Acimethin
h-Met-oh
L-Homocysteine, S-methyl-
L-α-Amino-γ-methylthiobutyric acid
l-Methionine
(S)-2-Amino-4-(methylthio)butanoic acid
γ-Methylthio-α-aminobutyric acid
α-Amino-γ-methylmercaptobutyric acid
S-Methionine
2-Amino-4-(methylthio)butyric acid
Butanoic acid, 2-amino-4-(methylthio)-, (S)-
Methionine
Cymethion
Methionine, L-
L-Methionine
Identifiers:
SMILES:
CSCC[C@H](N)C(=O)O
InChI:
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/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 | 149.215 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.051049592 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 | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.1513999999999998 | RDKit |
| molecular_mass | 149.22 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methionine None | Legacy Database |
| cas-boiling-point | 123-126 °C @ Press: 15 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)CCSC None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=FFEARJCKVFRZRR-BYPYZUCNSA-N None | Legacy Database |
| cas-melting-point | 280-282 °C (decomp) None | Legacy Database |
| cas-name | l-Methionine None | Legacy Database |
| wikipedia-name | Methionine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.61019999999999 | RDKit |
