Home Carboxys 3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 7-(1,1-dimethylethyl) 3-(phenylmethyl) ester

3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 7-(1,1-dimethylethyl) 3-(phenylmethyl) ester

CAS No.:
1638771-93-3
Catalog Number:
AG00IKYQ
Molecular Formula:
C20H26N2O5
Molecular Weight:
374.4308
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Product Description
Catalog Number:
AG00IKYQ
Chemical Name:
3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 7-(1,1-dimethylethyl) 3-(phenylmethyl) ester
CAS Number:
1638771-93-3
Molecular Formula:
C20H26N2O5
Molecular Weight:
374.4308
MDL Number:
MFCD27987965
IUPAC Name:
7-O-benzyl 3-O-tert-butyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
InChI:
InChI=1S/C20H26N2O5/c1-20(2,3)27-19(25)22-11-15-9-21(10-16(12-22)17(15)23)18(24)26-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChI Key:
CZTAMWNCYHUMJO-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CN(CC(C1)C2=O)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.184g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.437g/mol
Monoisotopic Mass:
374.184g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties