1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate

2.1.2 InChI

InChI=1S/C19H22N2O6/c1-19(2,3)27-18(24)20-21-11-10-14(22)16(15(21)17(23)25-4)26-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,20,24)

2.1.3 InChI Key

BZFFGGJUFFRTON-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2136287-59-5

2. 3-benzyloxy-1-boc-amino-4-oxo-1,4-dihydro-pyridine-2-carboxylicacidmethylester

3. Methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate

4. Mfcd32670956

5. Schembl10188411

6. Wlz3559

7. At38470

8. Sy347282

9. Cs-0064067

10. Methyl 3-(benzyloxy)-1-(boc-amino)-4-oxo-1,4-dihydropyridine-2-carboxylate

11. Methyl 3-(benzyloxy)-1-[(tert-butoxycarbonyl)amino]-4-oxopyridine-2-carboxylate

12. Methyl3-(benzyloxy)-1-((tert-butoxycarbonyl)amino)-4-oxo-1,4-dihydropyridine-2-carboxylate

13. 1-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic Acid Methyl Ester

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₂N₂O₆
Molecular Weight	374.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	94.2
Heavy Atom Count	27
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 2136287-59-5