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N-[(1,1-Dimethylethoxy)Carbonyl]-D-Serine
CAS: 6368-20-3 | C8H15NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6368-20-3
Molecular Formula:
C8H15NO5
Molecular Mass:
205.21 g/mol
Names and Synonyms:
N-[(1,1-Dimethylethoxy)Carbonyl]-D-Serine
D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-
Serine, N-carboxy-, N-tert-butyl ester, D-
N-[(1,1-Dimethylethoxy)carbonyl]-D-serine
N-tert-Butoxycarbonyl-D-serine
tert-(Butoxycarbonyl)-D-serine
BOC-D-Serine
(R)-2-(tert-Butoxycarbonylamino)-3-hydroxypropanoic acid
N-Boc-D-serine
(R)-2-(tert-Butoxycarbonylamino)-3-hydroxypropanoic acid
(R)-tert-Butoxycarbonyl-D-serine
(2R)-3-Hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(2R)-2-[[(tert-Butoxy)carbonyl]amino]-3-hydroxypropanoic acid
Identifiers:
SMILES:
CC(C)(C)OC(O)=N[C@H](CO)C(=O)O
InChI:
InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1
Key Properties
Melting Point
50-52 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.21 g/mol | CAS Common Chemistry |
| 205.20999999999998 g/mol | RDKit | |
| 205.09502258 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FHOAKXBXYSJBGX-RXMQYKEDSA-N | CAS Common Chemistry |
| Melting Point | 50-52 °C | CAS Common Chemistry |
| Name | N-[(1,1-Dimethylethoxy)carbonyl]-D-serine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.35000000000001 Ų | RDKit |
| LogP | 0.16099999999999998 | RDKit |
| Molar Refractivity | 49.41140000000002 | RDKit |
