Name: Name:ethyl 3-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylate
Brand: Angene
SKU: AG01C358
Rating: 90 (10 reviews)

ethyl 3-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylate

CAS No.:

1909311-77-8

Catalog Number:

AG01C358

Molecular Formula:

C13H20N2O4

Molecular Weight:

268.3089

Catalog Number:

AG01C358

Chemical Name:

ethyl 3-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylate

CAS Number:

1909311-77-8

Molecular Formula:

C13H20N2O4

Molecular Weight:

268.3089

MDL Number:

MFCD29762790

IUPAC Name:

ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate

InChI:

InChI=1S/C13H20N2O4/c1-6-18-11(16)10-9(7-8-15(10)5)14-12(17)19-13(2,3)4/h7-8H,6H2,1-5H3,(H,14,17)

InChI Key:

RCLKUQDQHNDNHL-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(ccn1C)NC(=O)OC(C)(C)C

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.313g/mol

Monoisotopic Mass:

268.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3