Molecule

ID:38550

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₄
Molecular Mass
271.3526
Exact Mass
271.17835829
Charge
0
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKey
MSZQAQJBXGTSHP-LLVKDONJSA-N
Canonic Smiles
OC(=O)[C@H](NC(=O)OC(C)(C)C)CC1CCCCC1
Isomeric Smiles
[C@@H](CC1CCCCC1)(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.2185583
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7363385
LogD (pH = 7.4)
0.016732633
Log P
3.0374763
Molar Refractivity
71.0447
Polarizability
28.24244
Polar Surface Area
75.63
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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