Name: (3R)-3-(4-nitrobenzyloxycarbonyl)aminopyrrolidine trifluoroacetate
SMILES:
O=C(N[C@@H]1CCNC1)OCc1ccc([N+](=O)[O-])cc1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C14H16F3N3O6
Molecular weight
379.29
Exact mass
379.0991
XLogP
1.82
TPSA
130.8
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
81.38
Supplementary Information
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