Molecule

ID:132558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₄
Molecular Mass
213.2304
Exact Mass
213.10010797
Charge
0
InChI
InChI=1S/C10H15NO4/c1-4(2)6(12)10-7(15-9(10)14)5(3)8(13)11-10/h4-7,12H,1-3H3,(H,11,13)/t5-,6+,7+,10-/m1/s1
InChIKey
FWPWHHUJACGNMZ-NBBQQVJHSA-N
Canonic Smiles
CC([C@@H]([C@]12NC(=O)[C@@H]([C@@H]2OC1=O)C)O)C
Isomeric Smiles
C[C@@H]1[C@H]2[C@](C(=O)O2)(NC1=O)[C@H](C(C)C)O
Calculated Properties
JChem
Acid pKa
10.381994
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.08871266
LogD (pH = 7.4)
0.08831688
Log P
0.08871772
Molar Refractivity
50.049
Polarizability
20.396214
Polar Surface Area
75.63
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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