Molecule

ID:63300

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-5-4-8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
SKEXQIJIXQSFRX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(CC(=O)O)CC1
Calculated Properties
JChem
Acid pKa
4.523263
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.03367031
LogD (pH = 7.4)
-1.8046638
Log P
0.98541176
Molar Refractivity
57.9675
Polarizability
22.755922
Polar Surface Area
66.84
Rotatable Bonds
4
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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