Molecule

ID:3448

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₄
Molecular Mass
190.19706
Exact Mass
190.09535694
Charge
0
InChI
InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey
PWIKLEYMFKCERQ-YFKPBYRVSA-N
Canonic Smiles
OC(=O)NCCCC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CCCCNC(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.72
LogD (pH = 5.5)
-4.01
Log P
-2.75
Rotatable Bonds
6
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
2.14
Polar Surface Area
112.65
Polarizability
18.92
Molar Refractivity
44.11
LOG S
-0.21
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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