CC1(C(CN(C1=O)C2C3CCCC2CC(C3)C(=O)O)COC4=NC=C(C=C4)C#N)C
Name: 9-[4-[(5-cyano-2-pyridinyl)oxymethyl]-3,3-dimethyl-2-oxopyrrolidin-1-yl]bicyclo[3.3.1]nonane-3-carboxylic acid
SMILES: CC1(C(CN(C1=O)C2C3CCCC2CC(C3)C(=O)O)COC4=NC=C(C=C4)C#N)C

Molecular Processing

Molecular formula
C23H29N3O4
Molecular weight
411.5
Exact mass
411.2158
XLogP
3.1
TPSA
103.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
108.41

Supplementary Information

InChIKey: GEHQDZWNBMFMGS-UHFFFAOYSA-N
Synonyme
SCHEMBL328910GEHQDZWNBMFMGS-UHFFFAOYSA-N9-[4-(5-Cyano-pyridin-2-yloxymethyl)-3,3-dimethyl-2-oxo-pyrrolidin-1-yl]-bicyclo[3.3.1]nonane-3-carboxylic acid
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