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Molecule
O-(1,1-Dimethylethyl)-L-Serine
CAS: 18822-58-7 · C7H15NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18822-58-7
- Molecular Formula
- C7H15NO3
- Molecular Mass
- 161.20 g/mol
Identifiers
CAS Registry Number
18822-58-7
SMILES
CC(C)(C)OC[C@H](N)C(=O)O
InChI Key
DDCPKNYKNWXULB-YFKPBYRVSA-N
InChI
InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Names and Synonyms
- O-(1,1-Dimethylethyl)-L-Serine Systematic Name
- L-Serine, O-(1,1-dimethylethyl)- Synonym
- Alanine, 3-tert-butoxy-, L- Synonym
- O-(1,1-Dimethylethyl)-L-serine Synonym
- O-tert-Butyl-L-serine Synonym
- 3-tert-Butoxy-L-alanine Synonym
- Serine tert-butyl ether Synonym
- O-tert-Butylserine Synonym
- L-Serine β-tert-butylether Synonym
- (2S)-2-Amino-3-(tert-butoxy)propanoic acid Synonym
- (2S)-2-Amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid Synonym
- (S)-2-Amino-3-(tert-butoxy)propanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.20 g/mol | CAS Common Chemistry |
| 161.201 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)COC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DDCPKNYKNWXULB-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 238-239 °C | CAS Common Chemistry |
| Name | O-(1,1-Dimethylethyl)-L-serine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.55 Ų | RDKit |
| LogP | 0.2134000000000001 | RDKit |
| 0.2134 | RDKit | |
| Molar Refractivity | 41.316199999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 161.10519334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 161.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO3.
