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Molecule
N-[(1,1-Dimethylethoxy)Carbonyl]-D-Norleucine
CAS: 55674-63-0 · C11H21NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 55674-63-0
- Molecular Formula
- C11H21NO4
- Molecular Mass
- 231.29 g/mol
Identifiers
CAS Registry Number
55674-63-0
SMILES
CCCC[C@@H](N=C(O)OC(C)(C)C)C(=O)O
InChI Key
ZIOCIQJXEKFHJO-MRVPVSSYSA-N
InChI
InChI=1S/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
Names and Synonyms
- N-[(1,1-Dimethylethoxy)Carbonyl]-D-Norleucine Systematic Name
- D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]- Synonym
- N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine Synonym
- N-tert-Butoxycarbonyl-D-norleucine Synonym
- N-BOC-D-norleucine Synonym
- Boc-D-norleucine Synonym
- (R)-2-[(tert-Butoxycarbonyl)amino]hexanoic acid Synonym
- (2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]hexanoic acid Synonym
- (2R)-2-[[(tert-Butoxy)carbonyl]amino]hexanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.29 g/mol | CAS Common Chemistry |
| 231.29199999999997 g/mol | RDKit | |
| 231.292 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NC(C(=O)O)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZIOCIQJXEKFHJO-MRVPVSSYSA-N | CAS Common Chemistry |
| Name | N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 2.3589 | RDKit |
| 2.42 | chempirical lib | |
| Molar Refractivity | 61.850600000000036 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 231.147058152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 231.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H21NO4.
Boc-L-Leucine
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Tert-Butoxycarbonyl-D-Leucine
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Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS 111652-20-1
Tert-Butoxycarbonyl-L-Isoleucine
CAS 13139-16-7
N-tert-Butoxycarbonyl-L-tert-leucine
CAS 62965-35-9
N-Tert-Butoxycarbonyl-L-Norleucine
CAS 6404-28-0
