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N-(Benzyloxycarbonyl)-L-Glutamic Acid
CAS: 1155-62-0 | C13H15NO6
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1155-62-0
Molecular Formula:
C13H15NO6
Molecular Mass:
281.26 g/mol
Names and Synonyms:
N-(Benzyloxycarbonyl)-L-Glutamic Acid
L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-
Glutamic acid, N-carboxy-, N-benzyl ester, L-
Glutamic acid, N-carboxy-, N-benzyl ester
N-[(Phenylmethoxy)carbonyl]-L-glutamic acid
N-Carbobenzoxy-L-glutamic acid
Carbobenzoxy-L-glutamic acid
N-(Benzyloxycarbonyl)glutamic acid
N-(Benzyloxycarbonyl)-L-glutamic acid
N-Cbz-L-glutamic acid
NSC 555
NSC 88494
Benzyloxycarbonyl-L-glutamic acid
(2S)-2-(Phenylmethoxycarbonylamino)pentanedioic acid
(2S)-2-[[(Benzyloxy)carbonyl]amino]pentanedioic acid
(S)-2-(((Benzyloxy)carbonyl)amino)pentanedioic acid
Identifiers:
SMILES:
O=C(O)CC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChI:
InChI=1S/C13H15NO6/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1
Key Properties
Melting Point
121 °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 | 281.26 g/mol | CAS Common Chemistry |
| 281.264 g/mol | RDKit | |
| 281.0899372 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(NC(=O)OCC=1C=CC=CC1)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C13H15NO6/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PVFCXMDXBIEMQG-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 121 °C | CAS Common Chemistry |
| Name | N-(Benzyloxycarbonyl)-L-glutamic acid | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 116.42 Ų | RDKit |
| LogP | 1.4352 | RDKit |
| Molar Refractivity | 69.58840000000004 | RDKit |
