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methyl 2-{6-[(tert-butoxycarbonyl)amino]pyridin-3-yl}acetate

methyl 2-{6-[(tert-butoxycarbonyl)amino]pyridin-3-yl}acetate

CAS: 1260742-24-2

Formula: C13H18N2O4

SMILES: COC(=O)CC1=CC=C(NC(=O)OC(C)(C)C)N=C1

IUPAC: methyl 2-(6-{[(tert-butoxy)carbonyl]amino}pyridin-3-yl)acetate

InChI: InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-10-6-5-9(8-14-10)7-11(16)18-4/h5-6,8H,7H2,1-4H3,(H,14,15,17)

Composition: C (58.63%), H (6.81%), N (10.52%), O (24.03%)

Molar Mass: 266.297

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 266.126657068
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey INQQQFHWJJNACY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.58
Topological Polar Surface Area 77.52
Polarizability 26.87
Ring Count 1
Rotatable Bond Count 6

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95% <5 Days 1260742-24-2 $1,760.00-$3,520.00$1,760.00$2,200.00$3,520.00
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