Molecule
ID:125003
General Information
Molecular Formula
C₁₀H₁₇NO₃
Molecular Mass
199.24688
Exact Mass
199.12084341
Charge
0
InChI
InChI=1S/C10H17NO3/c1-11(7-9(12)13)10(14)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,13)
InChIKey
SLZWLHCXGUWSJX-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1CCCCC1)CC(=O)O
Isomeric Smiles
C(=O)(N(CC(=O)O)C)C1CCCCC1
Calculated Properties
JChem
Acid pKa
4.209533
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30113155
LogD (pH = 7.4)
-2.0184073
Log P
1.0085493
Molar Refractivity
51.5461
Polarizability
20.189966
Polar Surface Area
57.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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