Home Carboxys Cis-8-Benzyl 3-Tert-Butyl 3,8-Diazabicyclo[4.2.0]Octane-3,8-Dicarboxylate

Cis-8-Benzyl 3-Tert-Butyl 3,8-Diazabicyclo[4.2.0]Octane-3,8-Dicarboxylate

CAS No.:
1293940-93-8
Catalog Number:
AG00HRYB
Molecular Formula:
C19H26N2O4
Molecular Weight:
346.4207
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Product Description
Catalog Number:
AG00HRYB
Chemical Name:
Cis-8-Benzyl 3-Tert-Butyl 3,8-Diazabicyclo[4.2.0]Octane-3,8-Dicarboxylate
CAS Number:
1293940-93-8
Molecular Formula:
C19H26N2O4
Molecular Weight:
346.4207
MDL Number:
MFCD20230898
IUPAC Name:
8-O-benzyl 3-O-tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3,8-dicarboxylate
InChI:
InChI=1S/C19H26N2O4/c1-19(2,3)25-17(22)20-10-9-15-11-21(16(15)12-20)18(23)24-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16-/m1/s1
InChI Key:
GBAMNSNKCDOBOO-HZPDHXFCSA-N
SMILES:
O=C(N1C[C@@H]2[C@H]1CN(CC2)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
346.189g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.427g/mol
Monoisotopic Mass:
346.189g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties