benzyl 2-[(tert-butoxycarbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate

benzyl 2-[(tert-butoxycarbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate

CAS: 147611-04-9

Formula: C21H30N2O4

SMILES: CC(C)(C)OC(=O)NC1CC2(C1)CCN(CC2)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 2-{[(tert-butoxy)carbonyl]amino}-7-azaspiro[3.5]nonane-7-carboxylate

InChI: InChI=1S/C21H30N2O4/c1-20(2,3)27-18(24)22-17-13-21(14-17)9-11-23(12-10-21)19(25)26-15-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,22,24)

Composition: C (67.35%), H (8.08%), N (7.48%), O (17.09%)

Molar Mass: 374.481

Atom Count: 57

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	374.220557454
Formal Charge	0
FSP3	0.62
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FMHNRYDVEZHYDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.66
Topological Polar Surface Area	67.87
Polarizability	40.3
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	147611-04-9		$289.80-$554.76$289.80$554.76