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Molecule
Boc-L-Serine
CAS: 3262-72-4 · C8H15NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3262-72-4
- Molecular Formula
- C8H15NO5
- Molecular Mass
- 205.21 g/mol
Identifiers
CAS Registry Number
3262-72-4
SMILES
CC(C)(C)OC(O)=N[C@@H](CO)C(=O)O
InChI Key
FHOAKXBXYSJBGX-YFKPBYRVSA-N
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-/m0/s1
Names and Synonyms
- Boc-L-Serine Common Name
- L-Serine, N-[(1,1-dimethylethoxy)carbonyl]- Synonym
- Serine, N-carboxy-, N-tert-butyl ester, L- Synonym
- N-[(1,1-Dimethylethoxy)carbonyl]-L-serine Synonym
- N-tert-Butyloxycarbonyl-L-serine Synonym
- N-(tert-Butoxycarbonyl)-L-serine Synonym
- N-(tert-Butoxycarbonyl)serine Synonym
- BOC-L-serine Synonym
- L-N-tert-Butoxycarbonylserine Synonym
- N-tert-Butyloxycarbonylserine Synonym
- N-t-Butoxycarbonylserine Synonym
- BOC-Serine Synonym
- N-BOC-L-serine Synonym
- NSC 164056 Synonym
- (S)-2-[(tert-Butoxycarbonyl)amino]-3-hydroxypropionic acid Synonym
- (S)-2-(tert-Butoxycarbonylamino)-3-hydroxypropanoic acid Synonym
- (2S)-3-Hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Synonym
- (2S)-2-[[(tert-Butoxy)carbonyl]amino]-3-hydroxypropanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.21 g/mol | CAS Common Chemistry |
| 205.20999999999998 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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FHOAKXBXYSJBGX-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 45-47 °C | CAS Common Chemistry |
| Name | BOC-L-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 |
| 99.35 Ų | RDKit | |
| LogP | 0.16099999999999998 | RDKit |
| 0.161 | RDKit | |
| Molar Refractivity | 49.41140000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 205.09502258 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 205.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H15NO5.
