Name: Name:1-(4-methylphenyl)-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG00IDPD
Rating: 90 (10 reviews)

1-(4-methylphenyl)-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid

CAS No.:

855715-09-2

Catalog Number:

AG00IDPD

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

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Product Description

Catalog Number:

AG00IDPD

Chemical Name:

1-(4-methylphenyl)-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid

CAS Number:

855715-09-2

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

MDL Number:

MFCD06655059

IUPAC Name:

1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C16H15NO3S/c1-10-4-6-11(7-5-10)17-14(18)9-12(16(19)20)15(17)13-3-2-8-21-13/h2-8,12,15H,9H2,1H3,(H,19,20)

InChI Key:

PRTGINCKDPPNSZ-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC(=O)N(C1c1cccs1)c1ccc(cc1)C

Properties

Complexity:

420

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.36g/mol

Monoisotopic Mass:

301.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

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