Molecule

ID:59945

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₄
Molecular Mass
203.23558
Exact Mass
203.11575803
Charge
0
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1
InChIKey
OIOAKXPMBIZAHL-LURJTMIESA-N
Canonic Smiles
N[C@H](C(=O)O)CCC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)([C@H](CCC(=O)OC(C)(C)C)N)O
Calculated Properties
JChem
Acid pKa
2.3054614
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9944017
LogD (pH = 7.4)
-1.9973038
Log P
-1.9943309
Molar Refractivity
49.8624
Polarizability
20.182781
Polar Surface Area
89.62
Rotatable Bonds
6
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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