Molecule

ID:83959

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(8(12)13)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
QFVJNEASAAJIDF-SSDOTTSWSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H](C(=O)O)C1CC1
Isomeric Smiles
N(C(=O)OC(C)(C)C)[C@H](C1CC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9767017
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.1947071
LogD (pH = 7.4)
-1.8351251
Log P
1.3371553
Molar Refractivity
52.5637
Polarizability
20.932104
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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