C1CC(N2CC1N(C2=O)OCC3=CC=CC=C3)C(=O)O
CAS: 2064219-13-0
이름: (2R,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
SMILES: C1CC(N2CC1N(C2=O)OCC3=CC=CC=C3)C(=O)O

Molecular Processing

Molecular formula
C14H16N2O4
Molecular weight
276.29
Exact mass
276.111
XLogP
1.47
TPSA
70.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
69.62

Supplementary Information

InChIKey: UMHGLONVYIYIOU-VXGBXAGGSA-N
동의어
2064219-13-0(2R,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acidMFCD30471591(1R,2R,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid(2R,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid2007919-52-8Relebactam Impurity 79Avibactam Impurity 176SCHEMBL3722632SCHEMBL18655943UMHGLONVYIYIOU-VXGBXAGGSA-NAKOS030628383AS-52853CS-0053460CS-0173387P15801trans-6-benzyloxy-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carboxylic acid(1R,2R,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylicacid(2R,5R)-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
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