CCc1ccc(C2CC(C(=O)O)CN(C(=O)N3CCC(O)CC3)C2)cc1
Name: 5-(4-ethylphenyl)-1-[(4-hydroxypiperidin-1-yl)carbonyl]piperidine-3-carboxylic acid
SMILES: CCc1ccc(C2CC(C(=O)O)CN(C(=O)N3CCC(O)CC3)C2)cc1

Molecular Processing

Molecular formula
C20H28N2O4
Molecular weight
360.45
Exact mass
360.2049
XLogP
2.32
TPSA
81.08
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
98.09

Supplementary Information

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