Molecule

ID:136129

General Information
Structure
Molecular Formula
C₃H₇NO₂
Molecular Mass
90.0865889
Exact Mass
90.04471336
Charge
0
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i4+1
InChIKey
QNAYBMKLOCPYGJ-GZPBOPPUSA-N
Canonic Smiles
C[C@@H](C(=O)O)[15NH2]
Isomeric Smiles
C[C@@H](C(=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
2.4748974
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.840927
LogD (pH = 7.4)
-2.843974
Log P
-2.840788
Molar Refractivity
20.4973
Polarizability
8.358352
Polar Surface Area
63.32
Rotatable Bonds
1
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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