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methyl 2-[(tert-butoxycarbonyl)amino]pyridine-4-carboxylate

methyl 2-[(tert-butoxycarbonyl)amino]pyridine-4-carboxylate

CAS: 639091-75-1

Formula: C12H16N2O4

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

IUPAC: methyl 2-{[(tert-butoxy)carbonyl]amino}pyridine-4-carboxylate

InChI: InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-7-8(5-6-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)

Composition: C (57.13%), H (6.39%), N (11.10%), O (25.37%)

Molar Mass: 252.27

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.111007003
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey TZCLGBJFBGZAQO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.53
Topological Polar Surface Area 77.52
Polarizability 25.02
Ring Count 1
Rotatable Bond Count 5

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