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Benzyloxycarbonyl-L-Leucine
CAS: 2018-66-8 | C14H19NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2018-66-8
Molecular Formula:
C14H19NO4
Molecular Mass:
265.31 g/mol
Names and Synonyms:
Benzyloxycarbonyl-L-Leucine
L-Leucine, N-[(phenylmethoxy)carbonyl]-
Leucine, N-carboxy-, N-benzyl ester, L-
Leucine, N-carboxy-, N-benzyl ester
N-[(Phenylmethoxy)carbonyl]-L-leucine
Benzyloxycarbonyl-L-leucine
(Carbobenzoxy)leucine
N-Carbobenzoxy-L-leucine
N-Carboxy-L-leucine N-benzyl ester
N-(Benzyloxycarbonyl)leucine
N-(Benzyloxycarbonyl)-L-leucine
(Benzyloxycarbonyl)leucine
Carbobenzoxy-L-leucine
N-Carbobenzyloxy-L-leucine
(Carbobenzyloxy)-L-leucine
N-(Carbobenzoxy)leucine
L-N-(Benzyloxycarbonyl)leucine
L-(Carbobenzyloxy)leucine
CBZ-L-leucine
NSC 60039
(2S)-2-[[(Benzyloxy)carbonyl]amino]-4-methylpentanoic acid
(2S)-4-Methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Identifiers:
SMILES:
CC(C)C[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChI:
InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.31 g/mol | CAS Common Chemistry |
| 265.30899999999997 g/mol | RDKit | |
| 265.131408088 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NC(C(=O)O)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=USPFMEKVPDBMCG-LBPRGKRZSA-N | CAS Common Chemistry |
| Name | Benzyloxycarbonyl-L-leucine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 2.6165000000000003 | RDKit |
| Molar Refractivity | 72.17360000000004 | RDKit |
