2-(tert-butoxycarbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

2-(tert-butoxycarbonyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

CAS: 127926-24-3

Formula: C11H17NO4

SMILES: CC(C)(C)OC(=O)N1CC2CC1(C2)C(O)=O

IUPAC: 2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

InChI: InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-6-7-4-11(12,5-7)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)

Composition: C (58.14%), H (7.54%), N (6.16%), O (28.16%)

Molar Mass: 227.26

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	227.115758031
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZCFGFDBKCBPYHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.76
Topological Polar Surface Area	66.84
Polarizability	22.05
Ring Count	2
Rotatable Bond Count	3

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