tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

CAS: 134003-84-2

Formula: C10H18N2O2

SMILES: CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2

IUPAC: tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

InChI: InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m1/s1

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	UXAWXZDXVOYLII-HTQZYQBOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.68
Topological Polar Surface Area	41.57
Polarizability	21.13
Ring Count	2
Rotatable Bond Count	2

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