Name: Name:methyl 4-{[(tert-butoxy)carbonyl]amino}-2-methyl-1H-pyrrole-3-carboxylate
Brand: Angene
SKU: AG01A3V2
Rating: 90 (10 reviews)

methyl 4-{[(tert-butoxy)carbonyl]amino}-2-methyl-1H-pyrrole-3-carboxylate

CAS No.:

1432678-96-0

Catalog Number:

AG01A3V2

Molecular Formula:

C12H18N2O4

Molecular Weight:

254.2823

Catalog Number:

AG01A3V2

Chemical Name:

methyl 4-{[(tert-butoxy)carbonyl]amino}-2-methyl-1H-pyrrole-3-carboxylate

CAS Number:

1432678-96-0

Molecular Formula:

C12H18N2O4

Molecular Weight:

254.2823

MDL Number:

MFCD24369089

IUPAC Name:

methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-pyrrole-3-carboxylate

InChI:

InChI=1S/C12H18N2O4/c1-7-9(10(15)17-5)8(6-13-7)14-11(16)18-12(2,3)4/h6,13H,1-5H3,(H,14,16)

InChI Key:

VYQURFPQMOHHEF-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(C)[nH]cc1NC(=O)OC(C)(C)C

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.286g/mol

Monoisotopic Mass:

254.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1