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N-Benzyloxycarbonyl-Dl-Serine
CAS: 2768-56-1 | C11H13NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2768-56-1
Molecular Formula:
C11H13NO5
Molecular Mass:
239.23 g/mol
Names and Synonyms:
N-Benzyloxycarbonyl-Dl-Serine
2-Benzyloxycarbonylamino-3-hydroxy-propionic acid
Serine, N-[(phenylmethoxy)carbonyl]-
Serine, N-carboxy-, N-benzyl ester, DL-
DL-Serine, N-carboxy-, N-benzyl ester
N-[(Phenylmethoxy)carbonyl]serine
N-Carbobenzoxy-DL-serine
N-Benzyloxycarbonyl-DL-serine
N-Carbobenzyloxy-DL-serine
NSC 118530
NSC 22029
3-Hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
2-[[(Benzyloxy)carbonyl]amino]-3-hydroxypropanoic acid
Identifiers:
SMILES:
O=C(O)C(CO)N=C(O)OCc1ccccc1
InChI:
InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)
Key Properties
Melting Point
125 °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 | 239.23 g/mol | CAS Common Chemistry |
| 239.22700000000003 g/mol | RDKit | |
| 239.079372516 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)OCC=1C=CC=CC1)CO | CAS Common Chemistry |
| InChI | InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=GNIDSOFZAKMQAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 125 °C | CAS Common Chemistry |
| Name | N-Benzyloxycarbonyl-DL-serine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 99.35000000000001 Ų | RDKit |
| LogP | 0.5626999999999998 | RDKit |
| Molar Refractivity | 59.80440000000003 | RDKit |
