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Molecule
D-Methionine
CAS: 348-67-4 · C5H11NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 348-67-4
- Molecular Formula
- C5H11NO2S
- Molecular Mass
- 149.22 g/mol
Identifiers
CAS Registry Number
348-67-4
SMILES
CSCC[C@@H](N)C(=O)O
InChI Key
FFEARJCKVFRZRR-SCSAIBSYSA-N
InChI
InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
Names and Synonyms
- D-Methionine Synonym
- D-Methionine Synonym
- Methionine, D- Synonym
- (R)-Methionine Synonym
- NSC 45689 Synonym
- S-Methyl-D-homocysteine Synonym
- MRX 1024 Synonym
- (R)-2-Amino-4-(methylthio)butanoic acid Synonym
- (2R)-2-Amino-4-methylsulfanylbutanoic 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 | |
| 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-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FFEARJCKVFRZRR-SCSAIBSYSA-N | CAS Common Chemistry |
| Melting Point | 100-101 °C | CAS Common Chemistry |
| Name | D-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 |
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
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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.
