Molecule

ID:136562

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₄
Molecular Mass
199.13246166
Exact Mass
199.11291059
Charge
0
InChI
InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
InChIKey
GMKMEZVLHJARHF-XEWADIPKSA-N
Canonic Smiles
[15NH2][13C@H]([13C](=O)O)[13CH2][13CH2][13CH2][13C@@H]([13C](=O)O)[15NH2]
Isomeric Smiles
[13CH2]([13CH2][13C@@H]([13C](=O)O)[15NH2])[13CH2][13C@@H]([13C](=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
1.847075
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.5455008
LogD (pH = 7.4)
-5.5511074
Log P
-5.545368
Molar Refractivity
43.6394
Polarizability
17.83188
Polar Surface Area
126.64
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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