Molecule

ID:52636

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₄
Molecular Mass
230.26092
Exact Mass
230.12665707
Charge
0
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14/h4-6,11H2,1-3H3,(H,13,14)
InChIKey
RBVXSBGDNJDEIF-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(C1)(N)C(=O)O)OC(C)(C)C
Isomeric Smiles
N1(CC(CC1)(C(=O)O)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
2.1791823
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3134534
LogD (pH = 7.4)
-2.3307602
Log P
-2.31367
Molar Refractivity
56.3293
Polarizability
22.460443
Polar Surface Area
92.86
Rotatable Bonds
3
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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