CAS 33224-01-0 | (2S,3S);-1-Methyl-5-oxo-2-(pyridin-3-yl);pyrrolidine-3-carboxylic acid | CAS Number 33224-01-0

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33224-01-0 | (2S,3S);-1-Methyl-5-oxo-2-(pyridin-3-yl);pyrrolidine-3-carboxylic acid

CAS No: 33224-01-0 Catalog No: AG003UVG MDL No:MFCD00075394

Product Description

Catalog Number:

AG003UVG

Chemical Name:

(2S,3S);-1-Methyl-5-oxo-2-(pyridin-3-yl);pyrrolidine-3-carboxylic acid

CAS Number:

33224-01-0

Molecular Formula:

C11H12N2O3

Molecular Weight:

220.2246

MDL Number:

MFCD00075394

IUPAC Name:

(2S,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C11H12N2O3/c1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2-4,6,8,10H,5H2,1H3,(H,15,16)/t8-,10+/m0/s1

InChI Key:

DEYLVDCFTICBTB-WCBMZHEXSA-N

SMILES:

OC(=O)[C@H]1CC(=O)N([C@@H]1c1cccnc1)C

Properties

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.228g/mol

Monoisotopic Mass:

220.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.	Bioorganic & medicinal chemistry 20121115
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101