tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

CAS: 122848-57-1

Formula: C10H18N2O2

SMILES: CC(C)(C)OC(=O)N1CC2CNCC12

IUPAC: tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate

InChI: InChI=1/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-11-5-8(7)12/h7-8,11H,4-6H2,1-3H3

Composition: C (60.58%), H (9.15%), N (14.13%), O (16.14%)

Molar Mass: 198.266

Atom Count: 32

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	198.136827828
Formal Charge	0
FSP3	0.9
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YPCQQZHIBTVQAB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.7
Topological Polar Surface Area	41.57
Polarizability	21.13
Ring Count	2
Rotatable Bond Count	2

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