Molecule

ID:70875

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₄
Molecular Mass
230.26092
Exact Mass
230.12665707
Charge
0
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-6-7(12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKey
MPOFEHGMWPHBSF-ZETCQYMHSA-N
Canonic Smiles
OC(=O)[C@@H]1CNCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1([C@@H](CNCC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.0776517
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.2194443
LogD (pH = 7.4)
-2.3715248
Log P
-2.2207072
Molar Refractivity
56.2738
Polarizability
22.460443
Polar Surface Area
78.87
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
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Molecule Details
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References
Bioactivity
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