Catalog No.:AA00IB6D

63674-65-7 | 1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Name: Name:1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Brand: AABLOCKS
SKU: AA00IB6D
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Rating: 90 (10 reviews)

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98%

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10g

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA00IB6D

Chemical Name:

1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

63674-65-7

Molecular Formula:

C13H15NO3

Molecular Weight:

233.2631

MDL Number:

MFCD01002227

SMILES:

OC(=O)C1CC(=O)N(C1)c1ccc(c(c1)C)C

Properties

Storage:

Room Temperature;

Computed Properties

Complexity:

329

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

1.3

Downstream Synthesis Route

97-65-4

95-64-7

63674-65-7

[1]CurrentPatentAssignee:YUMANITYTHERAPEUTICSINC-WO2018/81167,2018,A1Locationinpatent:Page/Pagecolumn90

[2]Locationinpatent:schemeortablePackiarajan,Mathivanan;MazzaFerreira,ChristineG.;Hong,Sang-Phyo;White,AndrewD.;Chandrasena,Gamini;Pu,Xiaosui;Brodbeck,RobbinM.;Robichaud,AlbertJ.[BioorganicandMedicinalChemistryLetters,2012,vol.22,#17,p.5658-5662]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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