tert-butyl 2-{[(2-nitrophenyl)amino]methyl}pyrrolidine-1-carboxylate

tert-butyl 2-{[(2-nitrophenyl)amino]methyl}pyrrolidine-1-carboxylate

Formula: C16H23N3O4

SMILES: CC(C)(C)OC(=O)N1CCCC1CNC1=CC=CC=C1[N+]([O-])=O

IUPAC: tert-butyl 2-{[(2-nitrophenyl)amino]methyl}pyrrolidine-1-carboxylate

InChI: InChI=1/C16H23N3O4/c1-16(2,3)23-15(20)18-10-6-7-12(18)11-17-13-8-4-5-9-14(13)19(21)22/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3

Composition: C (59.80%), H (7.21%), N (13.08%), O (19.91%)

Molar Mass: 321.377

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	321.168856233
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VPNIORGTYKHCGB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.5
Topological Polar Surface Area	84.71
Polarizability	32.96
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H23N3O4		Quote Only