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Molecule
Tert-Butoxycarbonyl-D-Leucine
CAS: 16937-99-8 · C11H21NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16937-99-8
- Molecular Formula
- C11H21NO4
- Molecular Mass
- 231.29 g/mol
Identifiers
CAS Registry Number
16937-99-8
SMILES
CC(C)C[C@@H](N=C(O)OC(C)(C)C)C(=O)O
InChI Key
MDXGYYOJGPFFJL-MRVPVSSYSA-N
InChI
InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
Names and Synonyms
- Tert-Butoxycarbonyl-D-Leucine Common Name
- D-Leucine, N-[(1,1-dimethylethoxy)carbonyl]- Synonym
- Leucine, N-carboxy-, N-tert-butyl ester, D- Synonym
- N-[(1,1-Dimethylethoxy)carbonyl]-D-leucine Synonym
- N-(tert-Butoxycarbonyl)-D-leucine Synonym
- tert-Butoxycarbonyl-D-leucine Synonym
- N-Boc-D-leucine Synonym
- (R)-2-(tert-Butoxycarbonylamino)-4-methylpentanoic acid Synonym
- D-Boc leucine Synonym
- (R)-N-(t-Butoxycarbonyl)leucine Synonym
- (2R)-2-[[[tert-Butoxy)carbonyl]amino]-4-methylpentanoic acid Synonym
- (R)-2-[[tert-Butoxycarbonyl)amino]-4-methylpentanoicacid Synonym
- (2R)-2-[[(tert-Butoxy)carbonyl]amino]-4-methylpentanoic acid Synonym
- (2R)-4-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic 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)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MDXGYYOJGPFFJL-MRVPVSSYSA-N | CAS Common Chemistry |
| Name | tert-Butoxycarbonyl-D-leucine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 2.2148 | RDKit |
| 2.42 | chempirical lib | |
| Molar Refractivity | 61.780600000000035 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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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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
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D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-
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