Molecule

ID:37713

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey
WOMAZEJKVZLLFE-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)NCC(=O)O
Isomeric Smiles
C(=O)(NCC(=O)O)CC
Calculated Properties
JChem
LogD (pH = 7.4)
-3.82
LogD (pH = 5.5)
-2.20
Log P
-0.63
Rotatable Bonds
3
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.93
Polar Surface Area
66.40
Polarizability
12.60
Molar Refractivity
30.07
LOG S
-0.22
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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