Molecule

ID:106098

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₆
Molecular Mass
303.3514
Exact Mass
303.16818753
Charge
0
InChI
InChI=1S/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)/t9-/m0/s1
InChIKey
YGSRAYJBEREVRB-VIFPVBQESA-N
Canonic Smiles
O=C(OC(C)(C)C)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9756446
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.22721039
LogD (pH = 7.4)
-1.4127836
Log P
1.760089
Molar Refractivity
74.7354
Polarizability
29.820028
Polar Surface Area
101.93
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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