Molecule

ID:15

General Information
Structure
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Molecular Formula
C₅H₁₂N₂O₂
Molecular Mass
132.16098
Exact Mass
132.08987763
Charge
0
InChI
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKey
AHLPHDHHMVZTML-BYPYZUCNSA-N
Canonic Smiles
N[C@H](C(=O)O)CCCN
Isomeric Smiles
OC(=O)[C@@H](N)CCCN
Calculated Properties
JChem
LogD (pH = 7.4)
-5.42
LogD (pH = 5.5)
-6.40
Log P
-3.66
Rotatable Bonds
4
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.67
Polar Surface Area
89.34
Polarizability
13.85
Molar Refractivity
33.21
LOG S
0.42
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
No Data Available
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Molecule Details
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References
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Bioactivity
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