Name: Name:1H-Pyrrole-2-carboxylicacid,4-(aminocarbonyl)-1-methyl-(9CI)
Brand: Angene
SKU: AG00AHU4
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylicacid,4-(aminocarbonyl)-1-methyl-(9CI)

CAS No.:

143158-62-7

Catalog Number:

AG00AHU4

Molecular Formula:

C7H8N2O3

Molecular Weight:

168.1500

Catalog Number:

AG00AHU4

Chemical Name:

1H-Pyrrole-2-carboxylicacid,4-(aminocarbonyl)-1-methyl-(9CI)

CAS Number:

143158-62-7

Molecular Formula:

C7H8N2O3

Molecular Weight:

168.1500

MDL Number:

MFCD12924708

IUPAC Name:

4-carbamoyl-1-methylpyrrole-2-carboxylic acid

InChI:

InChI=1S/C7H8N2O3/c1-9-3-4(6(8)10)2-5(9)7(11)12/h2-3H,1H3,(H2,8,10)(H,11,12)

InChI Key:

MFDNDVAWZIXTQG-UHFFFAOYSA-N

SMILES:

NC(=O)c1cc(n(c1)C)C(=O)O

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.152g/mol

Monoisotopic Mass:

168.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6