Molecule

ID:38738

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₆
Molecular Mass
247.24508
Exact Mass
247.10558727
Charge
0
InChI
InChI=1S/C10H17NO6/c1-9(2,3)17-8(16)11-10(4,7(14)15)5-6(12)13/h5H2,1-4H3,(H,11,16)(H,12,13)(H,14,15)/t10-/m1/s1
InChIKey
WMDCRWFYQLYYCO-SNVBAGLBSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@](C(=O)O)(CC(=O)O)C
Isomeric Smiles
C([C@](C)(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.653571
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.4015255
LogD (pH = 7.4)
-4.445022
Log P
0.70434004
Molar Refractivity
56.119
Polarizability
22.317305
Polar Surface Area
112.93
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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