Name: (1S,2S,5R)-2-aminomethyl-7-methyl-3-aza-bicyclo[3.3.0]-octane-3-carboxylic acid tert.-butyl ester
SMILES:
CC1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H](CN)[C@H]2C1Molecular Processing
Molecular formula
C14H26N2O2
Molecular weight
254.37
Exact mass
254.1994
XLogP
2.23
TPSA
55.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
71.16
Supplementary Information
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