COC(=O)c1cc(N2CC[C@H](N)[C@H](OC)C2)ccc1NC(C)=O
Name: Methyl cis(±)-2-(acetylamino)-5-(4-amino-3-methoxypiperidin-1-yl)benzoate
SMILES: COC(=O)c1cc(N2CC[C@H](N)[C@H](OC)C2)ccc1NC(C)=O

Molecular Processing

Molecular formula
C16H23N3O4
Molecular weight
321.38
Exact mass
321.1689
XLogP
0.98
TPSA
93.89
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
87.69

Supplementary Information

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Involved in 3 reactions→

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