Name: Name:1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-1-(1-methylethyl)-
Brand: Angene
SKU: AG004RRI
Rating: 90 (10 reviews)

1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-1-(1-methylethyl)-

CAS No.:

847744-27-8

Catalog Number:

AG004RRI

Molecular Formula:

C10H15NO2

Molecular Weight:

181.2316

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Product Description

Catalog Number:

AG004RRI

Chemical Name:

1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-1-(1-methylethyl)-

CAS Number:

847744-27-8

Molecular Formula:

C10H15NO2

Molecular Weight:

181.2316

MDL Number:

MFCD07323328

IUPAC Name:

2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C10H15NO2/c1-6(2)11-7(3)5-9(8(11)4)10(12)13/h5-6H,1-4H3,(H,12,13)

InChI Key:

UUWRKNQFRGKDGI-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(n(c1C)C(C)C)C

Properties

Complexity:

203

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.235g/mol

Monoisotopic Mass:

181.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties