tert-butyl 2-[(tert-butoxycarbonyl)amino]-2-(pyridin-3-yl)acetate

tert-butyl 2-[(tert-butoxycarbonyl)amino]-2-(pyridin-3-yl)acetate

CAS: 2442597-42-2

Formula: C16H24N2O4

SMILES: CC(C)(C)OC(=O)NC(C(=O)OC(C)(C)C)C1=CC=CN=C1

IUPAC: tert-butyl 2-{[(tert-butoxy)carbonyl]amino}-2-(pyridin-3-yl)acetate

InChI: InChI=1/C16H24N2O4/c1-15(2,3)21-13(19)12(11-8-7-9-17-10-11)18-14(20)22-16(4,5)6/h7-10,12H,1-6H3,(H,18,20)

Composition: C (62.32%), H (7.84%), N (9.08%), O (20.75%)

Molar Mass: 308.378

Atom Count: 46

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	308.173607261
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JGTIJDYTPRLUOY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.65
Topological Polar Surface Area	77.52
Polarizability	32.37
Ring Count	1
Rotatable Bond Count	7

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97%	<2 Days	2442597-42-2		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70