Molecule

ID:103277

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₃
Molecular Mass
174.19766
Exact Mass
174.10044232
Charge
0
InChI
InChI=1S/C7H14N2O3/c8-6(7(11)12)3-1-2-4-9-5-10/h5-6H,1-4,8H2,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey
KLPJXDPPMSJWKI-LURJTMIESA-N
Canonic Smiles
O=CNCCCC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CCCCNC=O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.3536031
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.202848
LogD (pH = 7.4)
-3.2056131
Log P
-3.2027557
Molar Refractivity
42.7628
Polarizability
16.951561
Polar Surface Area
92.42
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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