Molecule

ID:135256

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
282.2977689
Exact Mass
282.12335761
Charge
0
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1/i15+1
InChIKey
CNBUSIJNWNXLQQ-ATIMDCQMSA-N
Canonic Smiles
OC(=O)[C@H](Cc1ccc(cc1)O)[15NH]C(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)[15NH][C@@H](Cc1ccc(cc1)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7783115
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.5429597
LogD (pH = 7.4)
-1.0094409
Log P
2.2661471
Molar Refractivity
71.9702
Polarizability
28.141428
Polar Surface Area
95.86
Rotatable Bonds
6
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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