AC1LF5UK

3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanoic acid

Also Known As: Oprea1_089205|BAS 00340047|3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanoic acid|F0017-0995|F0373-0221|3-(3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3-dihydro-1H-purin-7(6H)-yl)propanoic acid|3-[3-methyl-2,6-dioxo-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purin-7-yl]propanoic acid|3-(3-Methyl-2,6-dioxo-8-piperidin-1-yl-1,2,3,6-tetrahydro-purin-7-yl)-propionic|3-(3-methyl-2,6-dioxo-8-piperidyl-1,3,7-trihydropurin-7-yl)propanoic acid|3-[6-hydroxy-3-methyl-2-oxo-8-(piperidin-1-yl)-2,3-dihydro-7H-purin-7-yl]propanoic acid

Molecular Formula	C14H19N5O4
Molecular Weight	321.1437 g/mol
LogP	0.1
Topological Polar Surface Area	108.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	321.1437
Monoisotopic Mass	321.1437
Heavy Atoms	23
Complexity	507.0

Chemical Identifiers

CAS Number	96902-23-7
SMILES	CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC(=O)O
InChIKey	XRBACLQDPXWCJQ-UHFFFAOYSA-N