3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

CAS: 1051393-66-8

Formula: C11H17NO4

SMILES: CC(C)(C)OC(=O)N1CC2CC2C1C(O)=O

IUPAC: 3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

InChI: InChI=1/C11H17NO4/c1-11(2,3)16-10(15)12-5-6-4-7(6)8(12)9(13)14/h6-8H,4-5H2,1-3H3,(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	3
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	RTWMQNSZCUYSJJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.6
Topological Polar Surface Area	66.84
Polarizability	22.05
Ring Count	2
Rotatable Bond Count	3

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