이름: (2S,3S,5S)-5-methoxy-3-(methoxycarbonyl)piperidine-2-carboxylic acid
SMILES:
COC(=O)[C@H]1C[C@H](OC)CN[C@@H]1C(=O)OMolecular Processing
Molecular formula
C9H15NO5
Molecular weight
217.22
Exact mass
217.095
XLogP
-0.76
TPSA
84.86
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
50.35
Supplementary Information
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