Name: Name:1H-Pyrrole-3-aceticacid, 2,3-dihydro-4-(methoxycarbonyl)-5-methyl-2-oxo-, methyl ester
Brand: Angene
SKU: AG005DRD
Rating: 90 (10 reviews)

1H-Pyrrole-3-aceticacid, 2,3-dihydro-4-(methoxycarbonyl)-5-methyl-2-oxo-, methyl ester

CAS No.:

77978-74-6

Catalog Number:

AG005DRD

Molecular Formula:

C10H13NO5

Molecular Weight:

227.2139

Catalog Number:

AG005DRD

Chemical Name:

1H-Pyrrole-3-aceticacid, 2,3-dihydro-4-(methoxycarbonyl)-5-methyl-2-oxo-, methyl ester

CAS Number:

77978-74-6

Molecular Formula:

C10H13NO5

Molecular Weight:

227.2139

MDL Number:

MFCD00173858

IUPAC Name:

methyl 3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate

InChI:

InChI=1S/C10H13NO5/c1-5-8(10(14)16-3)6(9(13)11-5)4-7(12)15-2/h6H,4H2,1-3H3,(H,11,13)

InChI Key:

NPYQVGIAZWLWAH-UHFFFAOYSA-N

SMILES:

COC(=O)CC1C(=O)NC(=C1C(=O)OC)C

Complexity:

371

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.216g/mol

Monoisotopic Mass:

227.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6