2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid

C9H14N2O5S — CID 82856715

IUPAC2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid
SMILESO=C(O)CS(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H14N2O5S/c12-8-2-1-7-5-10(3-4-11(7)8)17(15,16)6-9(13)14/h7H,1-6H2,(H,13,14)
InChIKeyJZAQYBZMHHFYQU-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.29
Rot. Bonds3

About 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid

2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid (PubChem CID 82856715) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid
PubChem CID82856715
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid
SMILESO=C(O)CS(=O)(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H14N2O5S/c12-8-2-1-7-5-10(3-4-11(7)8)17(15,16)6-9(13)14/h7H,1-6H2,(H,13,14)
InChIKeyJZAQYBZMHHFYQU-UHFFFAOYSA-N
XLogP-1.29
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid with MolForge

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Related Compounds

2-propylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863703
2-(2-chloroethylsulfonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107652299
3-[methyl-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]amino]propanoic acid
CID 82856843
2-piperazin-1-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862575
2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid
CID 60951653
2-pyrrolidin-3-ylsulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863813
2-(4-aminophenyl)sulfonyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856422
2-(bicyclo[3.1.0]hexane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863196
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid
CID 82863887
2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82864086

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid?
The IUPAC name of 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid (CID 82856715) is 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid?
The canonical SMILES for 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid is O=C(O)CS(=O)(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid?
The InChIKey is JZAQYBZMHHFYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c12-8-2-1-7-5-10(3-4-11(7)8)17(15,16)6-9(13)14/h7H,1-6H2,(H,13,14).
What are the key properties of 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid?
2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid has a molecular weight of 262.29 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]acetic acid is sourced from PubChem (CID 82856715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).