Name: Name:Benzoic acid,3-[(aminocarbonyl)amino]-, methyl ester
Brand: Angene
SKU: AG006TFW
Rating: 90 (10 reviews)

Benzoic acid,3-[(aminocarbonyl)amino]-, methyl ester

CAS No.:

65081-75-6

Catalog Number:

AG006TFW

Molecular Formula:

C9H10N2O3

Molecular Weight:

194.1873

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Product Description

Catalog Number:

AG006TFW

Chemical Name:

Benzoic acid,3-[(aminocarbonyl)amino]-, methyl ester

CAS Number:

65081-75-6

Molecular Formula:

C9H10N2O3

Molecular Weight:

194.1873

MDL Number:

MFCD00219842

IUPAC Name:

methyl 3-(carbamoylamino)benzoate

InChI:

InChI=1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)

InChI Key:

CANIDQGAPAHUJM-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(c1)NC(=O)N

Properties

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.19g/mol

Monoisotopic Mass:

194.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

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