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

C12H19N3O3 — CID 118353922

IUPAC3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(CN2CC3CNCCN3C2=O)C1
InChIInChI=1S/C12H19N3O3/c16-11(17)9-3-8(4-9)6-14-7-10-5-13-1-2-15(10)12(14)18/h8-10,13H,1-7H2,(H,16,17)
InChIKeyUQHOJPJTNUWTOG-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.19
Rot. Bonds3

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

3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 118353922) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID118353922
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(CN2CC3CNCCN3C2=O)C1
InChIInChI=1S/C12H19N3O3/c16-11(17)9-3-8(4-9)6-14-7-10-5-13-1-2-15(10)12(14)18/h8-10,13H,1-7H2,(H,16,17)
InChIKeyUQHOJPJTNUWTOG-UHFFFAOYSA-N
XLogP-0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
CID 122454002
3-[(3-Oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 177749039
5-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]pentanoic acid;2,2,2-trifluoroacetic acid
CID 177749049
(3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
CID 90729396
1-[[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]methyl]cyclobutane-1-carboxylic acid
CID 118353907
2,2-Dimethyl-5-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid
CID 118354005
5-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]pentanoic acid
CID 118354194
trans-(1S,3S)-3-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354235
trans-(1R,3R)-3-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354236
3-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354237
cis-(1S,3R)-3-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354462
cis-(1R,3S)-3-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354463

Frequently Asked Questions

What is the IUPAC name of 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid (CID 118353922) is 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1CC(CN2CC3CNCCN3C2=O)C1.
What is the InChIKey of 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is UQHOJPJTNUWTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-11(17)9-3-8(4-9)6-14-7-10-5-13-1-2-15(10)12(14)18/h8-10,13H,1-7H2,(H,16,17).
What are the key properties of 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid?
3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 118353922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).