5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid

C11H17N3O4 — CID 79092252

IUPAC5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H17N3O4/c15-9(2-1-3-10(16)17)13-4-5-14-8(7-13)6-12-11(14)18/h8H,1-7H2,(H,12,18)(H,16,17)
InChIKeyXOKXYUUEBOIZPX-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.52
Rot. Bonds4

About 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid

5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid (PubChem CID 79092252) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
PubChem CID79092252
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H17N3O4/c15-9(2-1-3-10(16)17)13-4-5-14-8(7-13)6-12-11(14)18/h8H,1-7H2,(H,12,18)(H,16,17)
InChIKeyXOKXYUUEBOIZPX-UHFFFAOYSA-N
XLogP-0.52
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid (CID 79092252) is 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid is O=C(O)CCCC(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
The InChIKey is XOKXYUUEBOIZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9(2-1-3-10(16)17)13-4-5-14-8(7-13)6-12-11(14)18/h8H,1-7H2,(H,12,18)(H,16,17).
What are the key properties of 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid is sourced from PubChem (CID 79092252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).