4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid

C10H17N3O3 — CID 118354045

IUPAC4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid
SMILESO=C(O)CCCN1C[C@@H]2CNCCN2C1=O
InChIInChI=1S/C10H17N3O3/c14-9(15)2-1-4-12-7-8-6-11-3-5-13(8)10(12)16/h8,11H,1-7H2,(H,14,15)/t8-/m0/s1
InChIKeyUFDQSDPDQSXANO-QMMMGPOBSA-N
MW227.26 g/mol
LogP-0.44
Rot. Bonds4

About 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid

4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid (PubChem CID 118354045) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid
PubChem CID118354045
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid
SMILESO=C(O)CCCN1C[C@@H]2CNCCN2C1=O
InChIInChI=1S/C10H17N3O3/c14-9(15)2-1-4-12-7-8-6-11-3-5-13(8)10(12)16/h8,11H,1-7H2,(H,14,15)/t8-/m0/s1
InChIKeyUFDQSDPDQSXANO-QMMMGPOBSA-N
XLogP-0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid?
The IUPAC name of 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid (CID 118354045) is 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid.
What is the SMILES notation for 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid?
The canonical SMILES for 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid is O=C(O)CCCN1C[C@@H]2CNCCN2C1=O.
What is the InChIKey of 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid?
The InChIKey is UFDQSDPDQSXANO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9(15)2-1-4-12-7-8-6-11-3-5-13(8)10(12)16/h8,11H,1-7H2,(H,14,15)/t8-/m0/s1.
What are the key properties of 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid?
4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid has a molecular weight of 227.26 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]butanoic acid is sourced from PubChem (CID 118354045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).