Molecule

ID:102146

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₃
Molecular Mass
202.25082
Exact Mass
202.13174245
Charge
0
InChI
InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7+/m1/s1
InChIKey
RDIKFPRVLJLMER-RQJHMYQMSA-N
Canonic Smiles
CC(C[C@@H](C(=O)O)NC(=O)[C@H](N)C)C
Isomeric Smiles
CC(C)C[C@H](NC(=O)[C@@H](C)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.959772
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.1315162
LogD (pH = 7.4)
-2.160929
Log P
-2.1256979
Molar Refractivity
51.4683
Polarizability
20.603012
Polar Surface Area
92.42
Rotatable Bonds
5
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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