Name: Name:3-(3,4-dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid
Brand: Angene
SKU: AG01C085
Rating: 90 (10 reviews)

3-(3,4-dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid

CAS No.:

63945-03-9

Catalog Number:

AG01C085

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

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Product Description

Catalog Number:

AG01C085

Chemical Name:

3-(3,4-dimethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoic acid

CAS Number:

63945-03-9

Molecular Formula:

C9H11NO4

Molecular Weight:

197.1879

MDL Number:

MFCD00812891

IUPAC Name:

3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)propanoic acid

InChI:

InChI=1S/C9H11NO4/c1-5-6(2)9(14)10(8(5)13)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)

InChI Key:

FBYUKWLOYLEBCO-UHFFFAOYSA-N

SMILES:

OC(=O)CCN1C(=O)C(=C(C1=O)C)C

Properties

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.19g/mol

Monoisotopic Mass:

197.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

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