2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

CAS: 158808-86-7

Molecular Formula	`C22H36N2O5S`
Molecular Weight	440.6 g/mol
LogP	1.4
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	14
Exact Mass	440.2345
Heavy Atoms	30
Complexity	579.0

Chemical Identifiers

CAS Number	158808-86-7
SMILES	`CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O`
InChIKey	`COKMIXFXJJXBQG-UHFFFAOYSA-N`

📖 Product Overview

2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid (CAS: 158808-86-7) is a chemical compound with molecular formula C22H36N2O5S and molecular weight 440.6 g/mol. Its IUPAC systematic name is 2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid. LogP 1.4 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 14 Exact Mass 440.2345 Heavy Atoms 30 Complexity 579.0 InChI Key: COKMIXFXJJXBQG-UHFFFAOYSA-N. SMILES: CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.

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