Name: Name:4-[(methylcarbamoyl)amino]benzoic acid
Brand: Angene
SKU: AG01C6ZT
Rating: 90 (10 reviews)

4-[(methylcarbamoyl)amino]benzoic acid

CAS No.:

54057-66-8

Catalog Number:

AG01C6ZT

Molecular Formula:

C9H10N2O3

Molecular Weight:

194.1873

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Product Description

Catalog Number:

AG01C6ZT

Chemical Name:

4-[(methylcarbamoyl)amino]benzoic acid

CAS Number:

54057-66-8

Molecular Formula:

C9H10N2O3

Molecular Weight:

194.1873

MDL Number:

MFCD00091317

IUPAC Name:

4-(methylcarbamoylamino)benzoic acid

InChI:

InChI=1S/C9H10N2O3/c1-10-9(14)11-7-4-2-6(3-5-7)8(12)13/h2-5H,1H3,(H,12,13)(H2,10,11,14)

InChI Key:

WSOMAKYZWNPMKC-UHFFFAOYSA-N

SMILES:

CNC(=O)Nc1ccc(cc1)C(=O)O

NSC Number:

203915

Properties

Complexity:

222

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:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.	Journal of medicinal chemistry 20040506
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.	Journal of medicinal chemistry 19971205

Properties