Molecule

ID:38977

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₄
Molecular Mass
280.3196
Exact Mass
280.14230713
Charge
0
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKey
NDMVQEZKACRLDP-LLVKDONJSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1ccc(cc1)N)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(ccc(cc1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C)N
Calculated Properties
JChem
Acid pKa
3.8121645
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.3272305
LogD (pH = 7.4)
-1.3449813
Log P
1.1127387
Molar Refractivity
74.6897
Polarizability
28.65538
Polar Surface Area
101.65
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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