Molecule

ID:69821

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₂
Molecular Mass
103.11976
Exact Mass
103.06332853
Charge
0
InChI
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
QWCKQJZIFLGMSD-VKHMYHEASA-N
Canonic Smiles
CC[C@@H](C(=O)O)N
Isomeric Smiles
C(=O)([C@H](CC)N)O
Calculated Properties
JChem
Acid pKa
2.615755
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3183894
LogD (pH = 7.4)
-2.3208885
Log P
-2.3181498
Molar Refractivity
25.0213
Polarizability
10.177998
Polar Surface Area
63.32
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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