Molecule

ID:39523

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₄
Molecular Mass
231.28874
Exact Mass
231.14705816
Charge
0
InChI
InChI=1S/C11H21NO4/c1-6-7-8(9(13)14)12(5)10(15)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m0/s1
InChIKey
BSMXBPUTGXWAGA-QMMMGPOBSA-N
Canonic Smiles
CCC[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O
Isomeric Smiles
[C@@H](CCC)(N(C)C(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1955056
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.78121316
LogD (pH = 7.4)
-0.9323564
Log P
2.1041532
Molar Refractivity
59.392
Polarizability
23.466265
Polar Surface Area
66.84
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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