Molecule

ID:37668

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-6(2,3)7-4(8)5(9)10/h1-3H3,(H,7,8)(H,9,10)
InChIKey
BPCATNGVUSFCNY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)O)NC(C)(C)C
Isomeric Smiles
C(=O)(C(=O)O)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.2721293
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0145023
LogD (pH = 7.4)
-3.2274597
Log P
0.20694153
Molar Refractivity
34.9631
Polarizability
13.605074
Polar Surface Area
66.4
Rotatable Bonds
2
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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