Name: Name:5-ethyl-4-(Methoxycarbonyl)-3-Methyl-1H-pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG008TY7
Rating: 90 (10 reviews)

5-ethyl-4-(Methoxycarbonyl)-3-Methyl-1H-pyrrole-2-carboxylic acid

CAS No.:

104303-50-6

Catalog Number:

AG008TY7

Molecular Formula:

C10H13NO4

Molecular Weight:

211.2145

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Product Description

Catalog Number:

AG008TY7

Chemical Name:

5-ethyl-4-(Methoxycarbonyl)-3-Methyl-1H-pyrrole-2-carboxylic acid

CAS Number:

104303-50-6

Molecular Formula:

C10H13NO4

Molecular Weight:

211.2145

MDL Number:

MFCD06368827

IUPAC Name:

5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid

InChI:

InChI=1S/C10H13NO4/c1-4-6-7(10(14)15-3)5(2)8(11-6)9(12)13/h11H,4H2,1-3H3,(H,12,13)

InChI Key:

USHDUEUJFBPDNZ-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(CC)[nH]c(c1C)C(=O)O

Properties

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.217g/mol

Monoisotopic Mass:

211.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501