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Molecule
N-[(1,1-Dimethylethoxy)Carbonyl]-L-Leucine 2,5-Dioxo-1-Pyrrolidinyl Ester
CAS: 3392-09-4 · C15H24N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3392-09-4
- Molecular Formula
- C15H24N2O6
- Molecular Mass
- 328.37 g/mol
Identifiers
CAS Registry Number
3392-09-4
SMILES
CC(C)C[C@H](N=C(O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O
InChI Key
WXRGJQZMGGGTSS-JTQLQIEISA-N
InChI
InChI=1S/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)/t10-/m0/s1
Names and Synonyms
- N-[(1,1-Dimethylethoxy)Carbonyl]-L-Leucine 2,5-Dioxo-1-Pyrrolidinyl Ester Synonym
- L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- Succinimide, N-[(N-carboxy-L-leucyl)oxy]-, tert-butyl ester Synonym
- Carbamic acid, [1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-methylbutyl]-, 1,1-dimethylethyl ester, (S)- Synonym
- Carbamic acid, [(1S)-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-methylbutyl]-, 1,1-dimethylethyl ester Synonym
- Leucine, N-carboxy-, N-tert-butyl ester, O-succinimido deriv., L- Synonym
- N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester Synonym
- N-(tert-Butyloxycarbonyl)-L-leucine ester with N-hydroxysuccinimide Synonym
- N-tert-Butyloxycarbonyl-L-leucine N-hydroxysuccinimide ester Synonym
- NSC 334346 Synonym
- tert-Butyloxycarbonyl-L-leucine N-hydroxysuccinimide ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 328.37 g/mol | CAS Common Chemistry |
| 328.3650000000001 g/mol | RDKit | |
| 328.365 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)/t10-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WXRGJQZMGGGTSS-JTQLQIEISA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.5 Ų | RDKit |
| 105.27 Ų | chempirical lib | |
| LogP | 1.7373999999999998 | RDKit |
| 1.7374 | RDKit | |
| Molar Refractivity | 81.32380000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7333 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 328.16343648799995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 328.37 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H24N2O6.
