Back to Search
5-(1,1-Dimethylethyl) Hydrogen N-[(Phenylmethoxy)Carbonyl]-L-Glutamate
CAS: 3886-08-6 | C17H23NO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3886-08-6
Molecular Formula:
C17H23NO6
Molecular Mass:
337.37 g/mol
Names and Synonyms:
5-(1,1-Dimethylethyl) Hydrogen N-[(Phenylmethoxy)Carbonyl]-L-Glutamate
L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-(1,1-dimethylethyl) ester
Glutamic acid, N-carboxy-, N-benzyl 5-tert-butyl ester, L-
5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate
(Benzyloxycarbonyl)-L-glutamic acid 5-tert-butyl ester
Nα-Benzyloxycarbonyl-γ-tert-butyl-L-glutamic acid
4(S)-Carboxy-4-(N-(benzyloxycarbonyl)amino)butanoic acid tert-butyl ester
(2S)-2-[[(Benzyloxy)carbonyl]amino]-5-tert-butoxy-5-oxopentanoic acid
(2S)-5-[(2-Methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
Identifiers:
SMILES:
CC(C)(C)OC(=O)CC[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChI:
InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1
Key Properties
Melting Point
81-85 °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 | 337.37 g/mol | CAS Common Chemistry |
| 337.372 g/mol | RDKit | |
| 337.15253745599995 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCC(=O)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GLMODRZPPBZPPB-ZDUSSCGKSA-N | CAS Common Chemistry |
| Melting Point | 81-85 °C | CAS Common Chemistry |
| Name | 5-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 105.42 Ų | RDKit |
| LogP | 2.6923000000000004 | RDKit |
| Molar Refractivity | 87.79760000000006 | RDKit |
