Molecule

ID:38924

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-10(12(17)18)11(16)9-7-5-4-6-8-9/h4-8,10-11,16H,1-3H3,(H,15,19)(H,17,18)/t10-,11+/m1/s1
InChIKey
NONUVMOXNPGTBK-MNOVXSKESA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H]([C@H](c1ccccc1)O)C(=O)O
Isomeric Smiles
c1(ccccc1)[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
3.8508556
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.002378799
LogD (pH = 7.4)
-1.5875713
Log P
1.6507163
Molar Refractivity
71.1968
Polarizability
28.15265
Polar Surface Area
95.86
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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