Molecule

ID:102702

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₃
Molecular Mass
186.20836
Exact Mass
186.10044232
Charge
0
InChI
InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKey
FELJDCNGZFDUNR-WDSKDSINSA-N
Canonic Smiles
OC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C
Isomeric Smiles
C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7132769
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.1109028
LogD (pH = 7.4)
-3.1066725
Log P
-3.1058507
Molar Refractivity
45.3617
Polarizability
18.0676
Polar Surface Area
78.43
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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