Molecule

ID:69151

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKey
YDBPZCVWPFMBDH-MRVPVSSYSA-N
Canonic Smiles
O=C[C@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)[C@@H]1N(CCC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.77671
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0274354
LogD (pH = 7.4)
1.0274354
Log P
1.0274354
Molar Refractivity
52.134
Polarizability
20.43282
Polar Surface Area
46.61
Rotatable Bonds
3
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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