Molecule

ID:105031

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃O₅
Molecular Mass
337.37092
Exact Mass
337.16377085
Charge
0
InChI
InChI=1S/C16H23N3O5/c1-11(18-14(20)8-7-12-5-4-10-24-12)15(21)19-13(16(22)23)6-2-3-9-17/h4-5,7-8,10-11,13H,2-3,6,9,17H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t11?,13-/m0/s1
InChIKey
BZUABSYGNBFITP-YUZLPWPTSA-N
Canonic Smiles
NCCCC[C@@H](C(=O)O)NC(=O)C(NC(=O)/C=C/c1ccco1)C
Isomeric Smiles
CC(NC(=O)/C=C/c1ccco1)C(=O)N[C@@H](CCCCN)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5717573
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.2754064
LogD (pH = 7.4)
-2.2718704
Log P
-2.2715633
Molar Refractivity
87.3578
Polarizability
33.66618
Polar Surface Area
134.66
Rotatable Bonds
10
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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