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1417789-49-1 | 3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 1,1-dimethylethyl ester, (1S,6R)-
CAS No: 1417789-49-1 Catalog No: AG001H2N MDL No:MFCD21332889
Product Description
Catalog Number:
AG001H2N
Chemical Name:
3,7-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 1,1-dimethylethyl ester, (1S,6R)-
CAS Number:
1417789-49-1
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD21332889
IUPAC Name:
tert-butyl (1S,6R)-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
InChI:
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-9-8(7-13)6-12-9/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1
InChI Key:
TUIAJQPTVCSWOB-DTWKUNHWSA-N
SMILES:
O=C(N1CC[C@@H]2[C@H](C1)CN2)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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