CC(C)(C)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)Cl
Name: 1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILES: CC(C)(C)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)Cl

Molecular Processing

Molecular formula
C15H20ClNO2
Molecular weight
281.78
Exact mass
281.1183
XLogP
3.24
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
76.64

Supplementary Information

InChIKey: ZHCVEFJHHJZOCR-UHFFFAOYSA-N
Synonyme
SCHEMBL2306660
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