(1R,3R,5R)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1R,3R,5R)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

CAS: 1148048-39-8

Formula: C11H17NO4

SMILES: CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@@H]1C(O)=O

IUPAC: (1R,3R,5R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

InChI: InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8-/m1/s1

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	VXIIZQXOIDYWBS-BWZBUEFSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.47
Topological Polar Surface Area	66.84
Polarizability	22.05
Ring Count	2
Rotatable Bond Count	3

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