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Molecule
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 Mass
- 149.22 g/mol
Identifiers
CAS Registry Number
63-68-3
SMILES
CSCC[C@H](N)C(=O)O
InChI Key
FFEARJCKVFRZRR-BYPYZUCNSA-N
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Names and Synonyms
- Methionine Common Name
- L-Methionine Synonym
- Methionine, L- Synonym
- Cymethion Synonym
- Methionine Synonym
- Butanoic acid, 2-amino-4-(methylthio)-, (S)- Synonym
- 2-Amino-4-(methylthio)butyric acid Synonym
- S-Methionine Synonym
- α-Amino-γ-methylmercaptobutyric acid Synonym
- γ-Methylthio-α-aminobutyric acid Synonym
- (S)-2-Amino-4-(methylthio)butanoic acid Synonym
- l-Methionine Synonym
- L-α-Amino-γ-methylthiobutyric acid Synonym
- L-Homocysteine, S-methyl- Synonym
- h-Met-oh Synonym
- Acimethin Synonym
- NSC 22946 Synonym
- S-Methyl-L-homocysteine Synonym
- Secretory peptide (human clone HTXDU73) Synonym
- Methiorep Synonym
- Meth-o-Tas Synonym
- (2S)-2-Azaniumyl-4-methylsulfanylbutanoate Synonym
- (2S)-2-Amino-4-(methylsulfanyl)butanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.22 g/mol | CAS Common Chemistry |
| 149.215 g/mol | RDKit | |
| 149.208 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methionine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCSC | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FFEARJCKVFRZRR-BYPYZUCNSA-N | CAS Common Chemistry |
| Melting Point | 280-282 °C (decomp) | CAS Common Chemistry |
| Name | l-Methionine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | 0.1513999999999998 | RDKit |
| 0.1514 | RDKit | |
| Molar Refractivity | 38.61019999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 149.051049592 g/mol | RDKit |
| Boiling Point | 123-126 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 149.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO2S.
