2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid

C15H24N2O4 — CID 82856116

IUPAC2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N1CCN2C(=O)CCC2C1)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-10(2)15(3,14(20)21)8-13(19)16-6-7-17-11(9-16)4-5-12(17)18/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyCBRHQNLMDKULAV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.96
Rot. Bonds4

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

2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid (PubChem CID 82856116) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid
PubChem CID82856116
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid
SMILESCC(C)C(C)(CC(=O)N1CCN2C(=O)CCC2C1)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-10(2)15(3,14(20)21)8-13(19)16-6-7-17-11(9-16)4-5-12(17)18/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyCBRHQNLMDKULAV-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-4,4-dimethylpentanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856195
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 112605617
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856716
2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
CID 43437317
2-(4-aminobutanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863221
4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64569235
3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid
CID 82863887
2-[3-(4-aminocyclohexyl)propanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82858604
2-methyl-4-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 82863781
2-[(2S)-2-amino-3-methylpentanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862632
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzoic acid
CID 82856451

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid (CID 82856116) is 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid is CC(C)C(C)(CC(=O)N1CCN2C(=O)CCC2C1)C(=O)O.
What is the InChIKey of 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid?
The InChIKey is CBRHQNLMDKULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)15(3,14(20)21)8-13(19)16-6-7-17-11(9-16)4-5-12(17)18/h10-11H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid?
2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid has a molecular weight of 296.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 82856116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).