Molecule

ID:63711

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-7-8(13)11-5-6-12(7)9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,13)
InChIKey
KKVKQTLLEBWZTR-UHFFFAOYSA-N
Canonic Smiles
CC1C(=O)NCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C1(N(C(=O)OC(C)(C)C)CCNC1=O)C
Calculated Properties
JChem
Acid pKa
14.232931
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.38227063
LogD (pH = 7.4)
0.3822706
Log P
0.38227063
Molar Refractivity
55.0169
Polarizability
21.589672
Polar Surface Area
58.64
Rotatable Bonds
2
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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