Molecule

ID:92533

General Information
Structure
Molecular Formula
C₁₀H₁₅NO₅
Molecular Mass
229.2298
Exact Mass
229.09502259
Charge
0
InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKey
CKYGSXRXTIKGAJ-SSDOTTSWSA-N
Canonic Smiles
O=C1CN([C@H](C1)C(=O)O)C(=O)OC(C)(C)C
Isomeric Smiles
N1([C@H](CC(=O)C1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.6930506
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2793157
LogD (pH = 7.4)
-2.7820551
Log P
0.52620476
Molar Refractivity
53.2944
Polarizability
21.086216
Polar Surface Area
83.91
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
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References
Bioactivity
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