Molecule

ID:38765

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₃
Molecular Mass
129.11398
Exact Mass
129.04259309
Charge
0
InChI
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey
ODHCTXKNWHHXJC-VKHMYHEASA-N
Canonic Smiles
O=C1CC[C@H](N1)C(=O)O
Isomeric Smiles
N1[C@@H](CCC1=O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6133544
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.7721438
LogD (pH = 7.4)
-4.2279973
Log P
-0.8896697
Molar Refractivity
28.0878
Polarizability
11.10192
Polar Surface Area
66.4
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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