Home Carboxys 3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 5,5-dimethyl-, 1,1-dimethylethyl ester, (1R,6R)-rel-

3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 5,5-dimethyl-, 1,1-dimethylethyl ester, (1R,6R)-rel-

CAS No.:
1251021-71-2
Catalog Number:
AG000N67
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
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Product Description
Catalog Number:
AG000N67
Chemical Name:
3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 5,5-dimethyl-, 1,1-dimethylethyl ester, (1R,6R)-rel-
CAS Number:
1251021-71-2
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
IUPAC Name:
tert-butyl (1R,6R)-5,5-dimethyl-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
InChI:
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-7-9-6-14-10(9)13(4,5)8-15/h9-10,14H,6-8H2,1-5H3/t9-,10-/m1/s1
InChI Key:
JHFGTUJMJRBKRC-NXEZZACHSA-N
SMILES:
O=C(N1C[C@H]2CN[C@H]2C(C1)(C)C)OC(C)(C)C
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties