Molecule

ID:65949

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₉N₃O₄
Molecular Mass
315.40846
Exact Mass
315.21580642
Charge
0
InChI
InChI=1S/C15H29N3O4/c1-13(2,3)21-11(19)17-15(9-16)7-8-18(10-15)12(20)22-14(4,5)6/h7-10,16H2,1-6H3,(H,17,19)
InChIKey
ZRHMJNUBQJZECJ-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCN(C1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(CC1)(NC(=O)OC(C)(C)C)CN)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.184162
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.97758
LogD (pH = 7.4)
-0.5266079
Log P
0.8604149
Molar Refractivity
82.9173
Polarizability
33.002422
Polar Surface Area
93.89
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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