Name: (2R,5S)-5-(4-fluorophenyl)pyrrolidine-1,2-dicarboxylic acid 1-t-butyl ester 2-ethyl ester
SMILES:
CCOC(=O)[C@H]1CC[C@@H](c2ccc(F)cc2)N1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C18H24FNO4
Molecular weight
337.39
Exact mass
337.1689
XLogP
3.83
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
86.87
Supplementary Information
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