Molecule

ID:69405

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₄
Molecular Mass
189.209
Exact Mass
189.10010797
Charge
0
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)/t5-/m0/s1
InChIKey
MXWMFBYWXMXRPD-YFKPBYRVSA-N
Canonic Smiles
N[C@H](C(=O)O)CC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)([C@@H](N)CC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
2.2146568
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.280706
LogD (pH = 7.4)
-2.30531
Log P
-2.2808871
Molar Refractivity
45.1074
Polarizability
18.359207
Polar Surface Area
89.62
Rotatable Bonds
5
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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