Molecule

ID:69804

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₅
Molecular Mass
205.2084
Exact Mass
205.09502259
Charge
0
InChI
InChI=1S/C8H15NO5/c1-8(2,3)14-7(13)9-5(4-10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m0/s1
InChIKey
FHOAKXBXYSJBGX-YFKPBYRVSA-N
Canonic Smiles
OC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)([C@@H](NC(=O)OC(C)(C)C)CO)O
Calculated Properties
JChem
Acid pKa
3.7772732
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.8576726
LogD (pH = 7.4)
-3.4061964
Log P
-0.1335239
Molar Refractivity
46.914
Polarizability
18.691622
Polar Surface Area
95.86
Rotatable Bonds
5
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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