Molecule

ID:68114

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)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
HRMRQBJUFWFQLX-ZETCQYMHSA-N
Canonic Smiles
OC(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@H](CC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.3894844
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.26652992
LogD (pH = 7.4)
-2.0213225
Log P
0.874764
Molar Refractivity
53.3154
Polarizability
20.932104
Polar Surface Area
66.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation