tert-butyl 6-oxo-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 6-oxo-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

CAS: 852875-99-1

Formula: C10H16N2O3

SMILES: CC(C)(C)OC(=O)N1CC2CC1C(=O)N2

IUPAC: tert-butyl 6-oxo-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

InChI: InChI=1/C10H16N2O3/c1-10(2,3)15-9(14)12-5-6-4-7(12)8(13)11-6/h6-7H,4-5H2,1-3H3,(H,11,13)

Composition: C (56.59%), H (7.60%), N (13.20%), O (22.61%)

Molar Mass: 212.249

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	212.116092383
Formal Charge	0
FSP3	0.8
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UMGMECYEEYWYKD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.83
Topological Polar Surface Area	58.64
Polarizability	20.88
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	852875-99-1		$205.54-$844.87$205.54$327.86$564.93$844.87