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Molecule
N-(Tert-Butoxycarbonyl)-L-Glutamic Acid 1-Tert-Butyl Ester
CAS: 24277-39-2 · C14H25NO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24277-39-2
- Molecular Formula
- C14H25NO6
- Molecular Mass
- 303.36 g/mol
Identifiers
CAS Registry Number
24277-39-2
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)O)N=C(O)OC(C)(C)C
InChI Key
YMOYURYWGUWMFM-VIFPVBQESA-N
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)9(7-8-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/t9-/m0/s1
Names and Synonyms
- N-(Tert-Butoxycarbonyl)-L-Glutamic Acid 1-Tert-Butyl Ester Synonym
- L-Glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester Synonym
- Glutamic acid, N-carboxy-, N,1-di-tert-butyl ester, L- Synonym
- N-tert-Butoxycarbonylglutamic acid α-tert-butyl ester Synonym
- NSC 164659 Synonym
- N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester Synonym
- 639: PN: WO2006034056 TABLE: 10 claimed protein Synonym
- (4S)-5-tert-Butoxy-4-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid Synonym
- BOC-L-glutamic acid tert-butyl ester Synonym
- N-α-tert-Butoxycarbonyl-L-glutamic acid α-tert butyl ester Synonym
- (S)-5-tert-Butoxy-4-(tert-butoxycarbonylamino)-5-oxopentanoic acid Synonym
- N-Boc-glutamic acid tert-butyl ester Synonym
- (S)-2-[(tert-Butoxycarbonyl)amino]pentanedioic acid 1-tert-butyl ester Synonym
- Boc-L-glutamic acid 1-tert-butyl ester Synonym
- (4S)-5-(tert-Butoxy)-4-[[(tert-butoxy)carbonyl]amino]-5-oxopentanoic acid Synonym
- (4S)-5-[(2-Methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.36 g/mol | CAS Common Chemistry |
| 303.355 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)OC(C)(C)C)CCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)9(7-8-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/t9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YMOYURYWGUWMFM-VIFPVBQESA-N | CAS Common Chemistry |
| Melting Point | 103.3-105.5 °C | CAS Common Chemistry |
| Name | N-(tert-Butoxycarbonyl)-L-glutamic acid 1-tert-butyl ester | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.42000000000002 Ų | RDKit |
| 105.42 Ų | RDKit | |
| LogP | 2.2906000000000004 | RDKit |
| 2.2906 | RDKit | |
| Molar Refractivity | 77.40460000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7857 | RDKit |
| 0.79 | chempirical lib | |
| Exact Mass | 303.16818752000006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 303.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H25NO6.
