Home Carboxys (1S,5S)-tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

(1S,5S)-tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

CAS No.:
956276-42-9
Catalog Number:
AG00IJ9K
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
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Product Description
Catalog Number:
AG00IJ9K
Chemical Name:
(1S,5S)-tert-Butyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
CAS Number:
956276-42-9
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
IUPAC Name:
tert-butyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
InChI:
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-11-8(7)6-12/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1
InChI Key:
YKGWXZRHRQUYTA-JGVFFNPUSA-N
SMILES:
O=C(N1C[C@@H]2[C@H](C1)CN2)OC(C)(C)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties