COC(=O)CN1C2CC(CC1CC(C2)O)C(=O)OC
CAS: 125483-28-5
이름: methyl 7-hydroxy-9-(2-methoxy-2-oxoethyl)-9-azabicyclo[3.3.1]nonane-3-carboxylate
SMILES: COC(=O)CN1C2CC(CC1CC(C2)O)C(=O)OC

Molecular Processing

Molecular formula
C13H21NO5
Molecular weight
271.31
Exact mass
271.142
XLogP
-0.06
TPSA
76.07
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
66.28

Supplementary Information

InChIKey: NFNRIFFHIZTOMV-UHFFFAOYSA-N
동의어
9-Azabicyclo[3.3.1]nonane-9-aceticacid, 3-(methoxycarbonyl)-7-oxo-, methyl ester125483-28-5SCHEMBL3244631NFNRIFFHIZTOMV-UHFFFAOYSA-N7-methoxycarbonyl-9-(methoxycarbonylmethyl)-9-azabicyclo-[3.3.1]nonan-3-ol7-hydroxy-9-methoxycarbonylmethyl-9-aza-bicyclo[3.3.1]nonan-3-carboxylic acid methyl ester
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