Name: 8-aza-bicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid 8-tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1C2C=C(C(=O)O)CC1CC2Molecular Processing
Molecular formula
C13H19NO4
Molecular weight
253.3
Exact mass
253.1314
XLogP
2.17
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
65.22
Supplementary Information
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