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Molecule
N-(Tert-Butyloxycarbonyl)-D-Methionine
CAS: 5241-66-7 · C10H19NO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5241-66-7
- Molecular Formula
- C10H19NO4S
- Molecular Mass
- 249.33 g/mol
Identifiers
CAS Registry Number
5241-66-7
SMILES
CSCC[C@@H](N=C(O)OC(C)(C)C)C(=O)O
InChI Key
IMUSLIHRIYOHEV-SSDOTTSWSA-N
InChI
InChI=1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
Names and Synonyms
- N-(Tert-Butyloxycarbonyl)-D-Methionine Common Name
- D-Methionine, N-[(1,1-dimethylethoxy)carbonyl]- Synonym
- Methionine, N-carboxy-, N-tert-butyl ester, D- Synonym
- N-[(1,1-Dimethylethoxy)carbonyl]-D-methionine Synonym
- N-tert-Butoxycarbonyl-D-methionine Synonym
- N-(tert-Butyloxycarbonyl)-D-methionine Synonym
- tert-Butoxycarbonyl-D-methionine Synonym
- BOC-D-Methionine Synonym
- N-Boc-D-methionine Synonym
- (2R)-2-[(tert-Butoxycarbonyl)amino]-4-(methylthio)butanoic acid Synonym
- (R)-2-[(tert-Butoxycarbonyl)amino]-4-(methylthio)butanoic acid Synonym
- (2R)-2-[[(tert-Butoxy)carbonyl]amino]-4-(methylsulfanyl)butanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.33 g/mol | CAS Common Chemistry |
| 249.332 g/mol | RDKit | |
| 249.325 g/mol | chempirical lib | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)O)CCSC | CAS Common Chemistry |
| InChI | InChI=1S/C10H19NO4S/c1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IMUSLIHRIYOHEV-SSDOTTSWSA-N | CAS Common Chemistry |
| Name | N-(tert-Butyloxycarbonyl)-D-methionine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 1.9218 | RDKit |
| Molar Refractivity | 65.32460000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 249.103479088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 249.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H19NO4S.
