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

C11H19N3O3 — CID 118359735

IUPAC5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid
SMILESO=C(O)CCCCN1CC2CNCCN2C1=O
InChIInChI=1S/C11H19N3O3/c15-10(16)3-1-2-5-13-8-9-7-12-4-6-14(9)11(13)17/h9,12H,1-8H2,(H,15,16)
InChIKeyKITQGARIRBIPOE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.05
Rot. Bonds5

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

5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid (PubChem CID 118359735) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid
PubChem CID118359735
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid
SMILESO=C(O)CCCCN1CC2CNCCN2C1=O
InChIInChI=1S/C11H19N3O3/c15-10(16)3-1-2-5-13-8-9-7-12-4-6-14(9)11(13)17/h9,12H,1-8H2,(H,15,16)
InChIKeyKITQGARIRBIPOE-UHFFFAOYSA-N
XLogP-0.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid?
The IUPAC name of 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid (CID 118359735) is 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid.
What is the SMILES notation for 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid?
The canonical SMILES for 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid is O=C(O)CCCCN1CC2CNCCN2C1=O.
What is the InChIKey of 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid?
The InChIKey is KITQGARIRBIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(16)3-1-2-5-13-8-9-7-12-4-6-14(9)11(13)17/h9,12H,1-8H2,(H,15,16).
What are the key properties of 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid?
5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid has a molecular weight of 241.29 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid is sourced from PubChem (CID 118359735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).