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Molecule
N-(Tert-Butyloxycarbonyl)Glycine N-Hydroxysuccinimide Ester
CAS: 3392-07-2 · C11H16N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3392-07-2
- Molecular Formula
- C11H16N2O6
- Molecular Mass
- 272.26 g/mol
Identifiers
CAS Registry Number
3392-07-2
SMILES
CC(C)(C)OC(O)=NCC(=O)ON1C(=O)CCC1=O
InChI Key
LJCWRJYVPJJTMB-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O6/c1-11(2,3)18-10(17)12-6-9(16)19-13-7(14)4-5-8(13)15/h4-6H2,1-3H3,(H,12,17)
Names and Synonyms
- N-(Tert-Butyloxycarbonyl)Glycine N-Hydroxysuccinimide Ester Synonym
- Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- Succinimide, N-[(N-carboxyglycyl)oxy]-, tert-butyl ester Synonym
- Carbamic acid, [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]-, 1,1-dimethylethyl ester Synonym
- N-[[N-(tert-Butoxycarbonyl)glycyl]oxy]succinimide Synonym
- N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester Synonym
- NSC 164050 Synonym
- tert-Butyl [2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]carbamate Synonym
- 2,5-Dioxopyrrolidin-1-yl 2-(tert-butoxycarbonylamino)acetate Synonym
- N-Boc-glycine N-hydroxysuccinimidyl ester Synonym
- N-Boc-glycine hydroxysuccinimide ester Synonym
- N-tert-Butoxycarbonylglycine N-hydroxysuccinimide ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.26 g/mol | CAS Common Chemistry |
| 272.25699999999995 g/mol | RDKit | |
| 272.257 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCC(=O)ON1C(=O)CCC1=O | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N2O6/c1-11(2,3)18-10(17)12-6-9(16)19-13-7(14)4-5-8(13)15/h4-6H2,1-3H3,(H,12,17) | CAS Common Chemistry |
| InChI Key | InChIKey=LJCWRJYVPJJTMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-170 °C | CAS Common Chemistry |
| Name | N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.5 Ų | RDKit |
| 105.27 Ų | chempirical lib | |
| LogP | 0.3226999999999997 | RDKit |
| 0.3227 | RDKit | |
| Molar Refractivity | 62.94780000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6364 | RDKit |
| 0.64 | chempirical lib | |
| Exact Mass | 272.100836232 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 |
|---|
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 = 272.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H16N2O6.
