Molecule

ID:69330

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1
InChIKey
UQHCHLWYGMSPJC-PHDIDXHHSA-N
Canonic Smiles
C[C@H]1C[C@@H](NCC1)C(=O)O
Isomeric Smiles
N1[C@H](C[C@@H](CC1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.1603026
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8370163
LogD (pH = 7.4)
-1.8372625
Log P
-1.8369148
Molar Refractivity
37.2139
Polarizability
14.9515705
Polar Surface Area
49.33
Rotatable Bonds
1
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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