الاسم: 4-(2-amino-4-methyl-phenylamino)-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
Cc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2O)c(N)c1Molecular Processing
Molecular formula
C17H27N3O3
Molecular weight
321.42
Exact mass
321.2052
XLogP
2.36
TPSA
87.82
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
91.43
Supplementary Information
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