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Benzyloxycarbonylglycine
CAS: 1138-80-3 | C10H11NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1138-80-3
Molecular Formula:
C10H11NO4
Molecular Mass:
209.20 g/mol
Names and Synonyms:
Benzyloxycarbonylglycine
Glycine, N-[(phenylmethoxy)carbonyl]-
Glycine, N-carboxy-, N-benzyl ester
N-[(Phenylmethoxy)carbonyl]glycine
N-(Carbobenzyloxy)glycine
Benzyloxycarbonylglycine
N-(Carbobenzoxy)glycine
Nα-(Benzyloxycarbonyl)glycine
N-Carboxyglycine N-benzyl ester
(Carbobenzyloxy)glycine
(Carbobenzoxy)glycine
Z-Gly-OH
N-(α-Carbobenzoxy)glycine
2-(Benzyloxycarbonylamino)acetic acid
N-(Benzyloxycarbonyl)glycine
NSC 2526
[[(Benzyloxy)carbonyl]amino]acetic acid
Z-Glycine
2-(Phenylmethoxycarbonylamino)acetic acid
Identifiers:
SMILES:
O=C(O)CN=C(O)OCc1ccccc1
InChI:
InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
Key Properties
Melting Point
120 °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 | 209.20 g/mol | CAS Common Chemistry |
| 209.201 g/mol | RDKit | |
| 209.068807832 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CNC(=O)OCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=CJUMAFVKTCBCJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | Benzyloxycarbonylglycine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 1.2017999999999998 | RDKit |
| Molar Refractivity | 53.797600000000024 | RDKit |
