Molecule

ID:133910

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKey
LPBSHGLDBQBSPI-YFKPBYRVSA-N
Canonic Smiles
N[C@H](C(=O)O)CC(C)(C)C
Isomeric Smiles
CC(C)(C)C[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
2.845632
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2863789
LogD (pH = 7.4)
-1.2887183
Log P
-1.2859194
Molar Refractivity
38.646
Polarizability
15.66981
Polar Surface Area
63.32
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
References
Bioactivity
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