Molecule
ID:119458
General Information
Molecular Formula
C₈H₁₆N₂O₄
Molecular Mass
204.22364
Exact Mass
204.111007
Charge
0
InChI
InChI=1S/C8H16N2O4/c9-5(7(11)12)3-1-2-4-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
InChIKey
YQZHANAPVDIEHA-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)CCCCC(C(=O)O)N
Isomeric Smiles
C(=O)(C(N)CCCCC(C(=O)O)N)O
Calculated Properties
JChem
Acid pKa
1.933366
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.100851
LogD (pH = 7.4)
-5.106372
Log P
-5.10066
Molar Refractivity
48.2404
Polarizability
19.650055
Polar Surface Area
126.64
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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