Back to Search
Molecule
N-Tert-Butoxycarbonyl-L-Norleucine
CAS: 6404-28-0 · C11H21NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6404-28-0
- Molecular Formula
- C11H21NO4
- Molecular Mass
- 231.29 g/mol
Identifiers
CAS Registry Number
6404-28-0
SMILES
CCCC[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChI Key
ZIOCIQJXEKFHJO-QMMMGPOBSA-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-/m0/s1
Names and Synonyms
- N-Tert-Butoxycarbonyl-L-Norleucine Common Name
- L-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]- Synonym
- Norleucine, N-carboxy-, N-tert-butyl ester, L- Synonym
- Norleucine, N-carboxy-, N-tert-butyl ester Synonym
- N-[(1,1-Dimethylethoxy)carbonyl]-L-norleucine Synonym
- N-tert-Butoxycarbonyl-L-norleucine Synonym
- N-(tert-Butoxycarbonyl)norleucine Synonym
- BOC-norleucine Synonym
- BOC-L-norleucine Synonym
- N-Boc-L-Norleucine Synonym
- NSC 334315 Synonym
- N-Boc-(S)-2-butylglycine 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-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZIOCIQJXEKFHJO-QMMMGPOBSA-N | CAS Common Chemistry |
| Name | N-tert-Butoxycarbonyl-L-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
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 231.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H21NO4.
Boc-L-Leucine
CAS 13139-15-6
Tert-Butoxycarbonyl-D-Leucine
CAS 16937-99-8
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-, 1,1-dimethylethyl ester
CAS 111652-20-1
Tert-Butoxycarbonyl-L-Isoleucine
CAS 13139-16-7
D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-
CAS 55674-63-0
N-tert-Butoxycarbonyl-L-tert-leucine
CAS 62965-35-9
