Name: Name:1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
Brand: Angene
SKU: AG000RNE
Rating: 90 (10 reviews)

1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester

CAS No.:

126114-09-8

Catalog Number:

AG000RNE

Molecular Formula:

C13H21NO4

Molecular Weight:

255.3101

Catalog Number:

AG000RNE

Chemical Name:

1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester

CAS Number:

126114-09-8

Molecular Formula:

C13H21NO4

Molecular Weight:

255.3101

MDL Number:

MFCD22665812

IUPAC Name:

1-O-tert-butyl 5-O-ethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate

InChI:

InChI=1S/C13H21NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h7H,5-6,8-9H2,1-4H3

InChI Key:

IVNUBOCYWQLYLA-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1=CCCN(C1)C(=O)OC(C)(C)C

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.314g/mol

Monoisotopic Mass:

255.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7