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287114-26-5 | N-Cbz-3-Boc-Amino-8-azabicyclo[3.2.1]octane
CAS No: 287114-26-5 Catalog No: AG01FB38 MDL No:
Product Description
Catalog Number:
AG01FB38
Chemical Name:
N-Cbz-3-Boc-Amino-8-azabicyclo[3.2.1]octane
CAS Number:
287114-26-5
Molecular Formula:
C20H28N2O4
Molecular Weight:
360.4473
IUPAC Name:
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C20H28N2O4/c1-20(2,3)26-18(23)21-15-11-16-9-10-17(12-15)22(16)19(24)25-13-14-7-5-4-6-8-14/h4-8,15-17H,9-13H2,1-3H3,(H,21,23)
InChI Key:
SFMNIQREKSUHAO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.205g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.454g/mol
Monoisotopic Mass:
360.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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