Molecule

ID:22330

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄
Molecular Mass
217.26216
Exact Mass
217.13140809
Charge
0
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-8(13)4-7(11)6-12/h7-8,12-13H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKey
UFJNFQNQLMGUTQ-JGVFFNPUSA-N
Canonic Smiles
OC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
Isomeric Smiles
[C@@H]1(N(C[C@@H](C1)O)C(=O)OC(C)(C)C)CO
Calculated Properties
JChem
Acid pKa
14.6244955
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2819205
LogD (pH = 7.4)
-0.28192052
Log P
-0.2819205
Molar Refractivity
54.5099
Polarizability
21.639687
Polar Surface Area
70.0
Rotatable Bonds
3
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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