80875-98-5 | (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	>97%	in stock	$23.00	$16.00
10g	95%	in stock	$29.00	$20.00
25g	>97%	in stock	$63.00	$44.00
100g	>97%	in stock	$225.00	$157.00

Description

• Catalog Number: AB54920
• Chemical Name: (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
• CAS Number: 80875-98-5
• Molecular Formula: C9H15NO2
• Molecular Weight: 169.2209
• MDL Number: MFCD07782125
• SMILES: OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2

Computed Properties

• Complexity: 193
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: -1

Literature

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

  Bioorganic & medicinal chemistry letters 20101101