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Molecule
1-(Phenylmethyl) Hydrogen N-[(1,1-Dimethylethoxy)Carbonyl]-L-Glutamate
CAS: 30924-93-7 · C17H23NO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 30924-93-7
- Molecular Formula
- C17H23NO6
- Molecular Mass
- 337.37 g/mol
Identifiers
CAS Registry Number
30924-93-7
SMILES
CC(C)(C)OC(O)=N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1
InChI Key
CVZUKWBYQQYBTF-ZDUSSCGKSA-N
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1
Names and Synonyms
- 1-(Phenylmethyl) Hydrogen N-[(1,1-Dimethylethoxy)Carbonyl]-L-Glutamate Synonym
- L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(phenylmethyl) ester Synonym
- 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate Synonym
- N-tert-Butoxycarbonyl-L-glutamic acid α-benzyl ester Synonym
- N-tert-Butoxycarbonylglutamic acid α-benzyl ester Synonym
- N-(tert-Butoxycarbonyl)-L-glutamic acid 1-benzyl ester Synonym
- (4S)-4-[(2-Methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 337.37 g/mol | CAS Common Chemistry |
| 337.372 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)OCC=1C=CC=CC1)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CVZUKWBYQQYBTF-ZDUSSCGKSA-N | CAS Common Chemistry |
| Name | 1-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)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 | 2.6923000000000012 | RDKit |
| 2.6923 | RDKit | |
| 2.56 | chempirical lib | |
| Molar Refractivity | 87.79760000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4706 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 337.15253745600006 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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| 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 = 337.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H23NO6.
