3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid

C12H19N3O4 — CID 82863887

IUPAC3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H19N3O4/c1-13(5-4-11(17)18)12(19)14-6-7-15-9(8-14)2-3-10(15)16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyLRIUUKNBKYTDJL-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.18
Rot. Bonds3

About 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid

3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid (PubChem CID 82863887) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid
PubChem CID82863887
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H19N3O4/c1-13(5-4-11(17)18)12(19)14-6-7-15-9(8-14)2-3-10(15)16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyLRIUUKNBKYTDJL-UHFFFAOYSA-N
XLogP-0.18
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]amino]propanoic acid
CID 82856843
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
2-methyl-4-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 82863781
2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856716
2-(4-aminobutanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863221
N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 82855691
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
(E)-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)but-2-enoic acid
CID 82857061
3-methoxy-4-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 103159795
2-[(2S)-2-amino-3-methylpentanoyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862632
N-benzyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 103876130

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid (CID 82863887) is 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)N1CCN2C(=O)CCC2C1.
What is the InChIKey of 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid?
The InChIKey is LRIUUKNBKYTDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-13(5-4-11(17)18)12(19)14-6-7-15-9(8-14)2-3-10(15)16/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid?
3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82863887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).