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3-(tert-butoxycarbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid

3-(tert-butoxycarbonyl)-3-azabicyclo[3.2.0]heptane-1-carboxylic acid

CAS: 1250993-43-1

Formula: C12H19NO4

SMILES: CC(C)(C)OC(=O)N1CC2CCC2(C1)C(O)=O

IUPAC: 3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.2.0]heptane-1-carboxylic acid

InChI: InChI=1/C12H19NO4/c1-11(2,3)17-10(16)13-6-8-4-5-12(8,7-13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)

Composition: C (59.73%), H (7.94%), N (5.81%), O (26.52%)

Molar Mass: 241.287

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 241.131408096
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HFZDQTVYEXMISZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.49
Topological Polar Surface Area 66.84
Polarizability 23.87
Ring Count 2
Rotatable Bond Count 3

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