tert-butyl (1R,3S,5R)-3-(hydroxymethyl)-5-methyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

tert-butyl (1R,3S,5R)-3-(hydroxymethyl)-5-methyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

CAS: 1522367-45-8

Formula: C12H21NO3

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

IUPAC: tert-butyl (1R,3S,5R)-3-(hydroxymethyl)-5-methyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

InChI: InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8(7-14)5-12(4)6-9(12)13/h8-9,14H,5-7H2,1-4H3/t8-,9+,12-/m0/s1

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	227.15214354
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IGPQGEGCVGXHSS-SBMIAAHKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60
Topological Polar Surface Area	49.77
Polarizability	23.92
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1522367-45-8		$546.01-$2,182.79$546.01$873.87$1,455.19$2,182.79