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2,5-dioxopyrrolidin-1-yl 6-{[(tert-butoxycarbonyl)amino]amino}pyridine-3-carboxylate

2,5-dioxopyrrolidin-1-yl 6-{[(tert-butoxycarbonyl)amino]amino}pyridine-3-carboxylate

CAS: 133081-26-2

Formula: C15H18N4O6

SMILES: CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 6-({[(tert-butoxy)carbonyl]amino}amino)pyridine-3-carboxylate

InChI: InChI=1S/C15H18N4O6/c1-15(2,3)24-14(23)18-17-10-5-4-9(8-16-10)13(22)25-19-11(20)6-7-12(19)21/h4-5,8H,6-7H2,1-3H3,(H,16,17)(H,18,23)

Composition: C (51.43%), H (5.18%), N (15.99%), O (27.40%)

Molar Mass: 350.331

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 350.122634316
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey PHWZJVJAIAVOAP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.54
Topological Polar Surface Area 126.93
Polarizability 32.4
Ring Count 2
Rotatable Bond Count 7

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 133081-26-2 $56.70-$207.90$56.70$103.95$151.20$207.90
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