Molecule

ID:52608

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₄
Molecular Mass
230.26092
Exact Mass
230.12665707
Charge
0
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
InChIKey
WDWRIVZIPSHUOR-RQJHMYQMSA-N
Canonic Smiles
N[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
[C@H]1(C[C@H](CN1C(=O)OC(C)(C)C)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6578012
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3361487
LogD (pH = 7.4)
-2.3353326
Log P
-2.3328388
Molar Refractivity
56.0348
Polarizability
22.460443
Polar Surface Area
92.86
Rotatable Bonds
3
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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