64984-60-7 | 4-(Benzylamino)-4-oxobutanoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$137.00	$96.00
5g	97%	in stock	$379.00	$265.00
10g	97%	in stock	$665.00	$466.00
25g	97%	in stock	$1,317.00	$922.00

Description

• Catalog Number: AG71260
• Chemical Name: 4-(Benzylamino)-4-oxobutanoic acid
• CAS Number: 64984-60-7
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.22582000000006
• MDL Number: MFCD00449649
• SMILES: O=C(CCC(=O)O)NCc1ccccc1

Computed Properties

• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 5
• XLogP3: 0.6

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives.

  Journal of medicinal chemistry 20031218