Molecule

ID:136559

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
147.13715484
Exact Mass
147.07249703
Charge
0
InChI
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i2+1
InChIKey
ZDXPYRJPNDTMRX-QQPKUSCQSA-N
Canonic Smiles
NC(=O)[13CH2]C[C@@H](C(=O)O)N
Isomeric Smiles
C([13CH2]C(=O)N)[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.1473022
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.001106
LogD (pH = 7.4)
-4.0058823
Log P
-4.0011334
Molar Refractivity
33.1099
Polarizability
13.317601
Polar Surface Area
106.41
Rotatable Bonds
4
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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