Name: methyl 9-[4-(hydroxymethyl)-3,3-dimethyl-2-oxopyrrolidin-1-yl]bicyclo[3.3.1]nonane-3-carboxylate
SMILES:
CC1(C(CN(C1=O)C2C3CCCC2CC(C3)C(=O)OC)CO)CMolecular Processing
Molecular formula
C18H29NO4
Molecular weight
323.43
Exact mass
323.2097
XLogP
1.83
TPSA
66.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
85.43
Supplementary Information
InChIKey: BARXJTBJGLIUEU-UHFFFAOYSA-N
Synonyms
SCHEMBL328952BARXJTBJGLIUEU-UHFFFAOYSA-N9-(4-Hydroxymethyl-3,3-dimethyl-2-oxo-pyrrolidin-1-yl)-bicyclo[3.3.1]nonane-3-carboxylic acid methyl ester
Involved in 5 reactions→