Name: Name:3-(Propionylamino)benzoic acid
Brand: AABLOCKS
SKU: AA00G4L1
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00G4L1

Chemical Name: 3-(Propionylamino)benzoic acid

CAS Number: 76208-99-6

Molecular Formula: C10H11NO3

Molecular Weight: 193.1992

MDL Number: MFCD03604396

SMILES: CCC(=O)Nc1cccc(c1)C(=O)O

Properties

Complexity: 227

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.8

Downstream Synthesis Route

76208-99-6

139200-39-8

C15H18N2O4

[1]Kathman,StefanG.;Xu,Ziyang;Statsyuk,AlexanderV.[JournalofMedicinalChemistry,2014,vol.57,#11,p.4969-4974]

76208-99-6

C10H17NO4*C2HF3O2

C15H18N2O4

[1]McShan,Danielle;Kathman,Stefan;Lowe,Brittiney;Xu,Ziyang;Zhan,Jennifer;Statsyuk,Alexander;Ogungbe,IfedayoVictor[BioorganicandMedicinalChemistryLetters,2015,vol.25,#20,p.4509-4512]

76208-99-6

N-(4-(4-methyl-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)benzene-1,4-diamine

N-(4-((4-(4-methyl-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)amino)phenyl)-3-propionamidobenzamide

[1]Muth,Felix;El-Gokha,Ahmed;Ansideri,Francesco;Eitel,Michael;Döring,Eva;Sievers-Engler,Adrian;Lange,Andreas;Boeckler,FrankM.;Lämmerhofer,Michael;Koch,Pierre;Laufer,StefanA.[JournalofMedicinalChemistry,2017,vol.60,#2,p.594-607]

76208-99-6

N1-(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)benzene-1,4-diamine

N-(4-((4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)amino)phenyl)-3-propionamidobenzamide

[1]Muth,Felix;El-Gokha,Ahmed;Ansideri,Francesco;Eitel,Michael;Döring,Eva;Sievers-Engler,Adrian;Lange,Andreas;Boeckler,FrankM.;Lämmerhofer,Michael;Koch,Pierre;Laufer,StefanA.[JournalofMedicinalChemistry,2017,vol.60,#2,p.594-607]

916420-84-3

76208-99-6

N-(4-methoxy-2-(trifluoromethyl)benzyl)-3-propionamidobenzamide

[1]Blöcher,René;Wagner,KarenM.;Gopireddy,RaghavenderR.;Harris,ToddR.;Wu,Hao;Barnych,Bogdan;Hwang,SungHee;Xiang,YangK.;Proschak,Ewgenij;Morisseau,Christophe;Hammock,BruceD.[JournalofMedicinalChemistry,2018,vol.61,#8,p.3541-3550]

76208-99-6 | 3-(Propionylamino)benzoic acid