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

C11H19N3O3 — CID 83040994

IUPAC2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H19N3O3/c1-2-3-9(10(15)16)13-4-5-14-8(7-13)6-12-11(14)17/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyROMVYKFJSCNRHF-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.05
Rot. Bonds4

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

2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid (PubChem CID 83040994) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
PubChem CID83040994
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H19N3O3/c1-2-3-9(10(15)16)13-4-5-14-8(7-13)6-12-11(14)17/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeyROMVYKFJSCNRHF-UHFFFAOYSA-N
XLogP-0.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
The IUPAC name of 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid (CID 83040994) is 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid.
What is the SMILES notation for 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
The canonical SMILES for 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid is CCCC(C(=O)O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
The InChIKey is ROMVYKFJSCNRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-3-9(10(15)16)13-4-5-14-8(7-13)6-12-11(14)17/h8-9H,2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid?
2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid has a molecular weight of 241.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid is sourced from PubChem (CID 83040994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).