Molecule

ID:103274

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₃
Molecular Mass
117.10328
Exact Mass
117.04259309
Charge
0
InChI
InChI=1S/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)/t3-/m0/s1
InChIKey
SRBATDDRZARFDZ-VKHMYHEASA-N
Canonic Smiles
O=CN[C@H](C(=O)O)C
Isomeric Smiles
C[C@H](NC=O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7268384
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.581445
LogD (pH = 7.4)
-4.103026
Log P
-0.8085634
Molar Refractivity
25.4506
Polarizability
9.990525
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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