4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid

C12H14N2O3 — CID 118500006

IUPAC4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
SMILESCc1ccc2c(=O)[nH]c(CCCC(=O)O)cn12
InChIInChI=1S/C12H14N2O3/c1-8-5-6-10-12(17)13-9(7-14(8)10)3-2-4-11(15)16/h5-7H,2-4H2,1H3,(H,13,17)(H,15,16)
InChIKeyDETLGLIJQGGHKA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.34
Rot. Bonds4

About 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid

4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid (PubChem CID 118500006) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
PubChem CID118500006
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
SMILESCc1ccc2c(=O)[nH]c(CCCC(=O)O)cn12
InChIInChI=1S/C12H14N2O3/c1-8-5-6-10-12(17)13-9(7-14(8)10)3-2-4-11(15)16/h5-7H,2-4H2,1H3,(H,13,17)(H,15,16)
InChIKeyDETLGLIJQGGHKA-UHFFFAOYSA-N
XLogP1.34
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Isopropyl-1,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40076165
3-(1,3-Dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl)-propionic acid
CID 10751487
N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide
CID 38549752
1-methyl-N-(propan-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 43810565
N-ethyl-1-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 43810568
(2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 137838101
3-(3-Aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1(2H)-one
CID 14082294
3-(1-Methyl-1h-pyrrole-2-carboxamido)propanoic acid
CID 10535867
3-(N-Methyl-1H-pyrrole-2-carboxamido)propanoic acid
CID 10559783
3-[(1-Ethylpyrrole-2-carbonyl)amino]propanoic acid
CID 10679951
[(Phenylamino)carbonyl]-1h-pyrrole-1-heptanoicacid
CID 22415332
3-Methylpyrrolo[1,2-a]pyrazin-1(2H)-one
CID 58948435

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
The IUPAC name of 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid (CID 118500006) is 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid.
What is the SMILES notation for 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
The canonical SMILES for 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid is Cc1ccc2c(=O)[nH]c(CCCC(=O)O)cn12.
What is the InChIKey of 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
The InChIKey is DETLGLIJQGGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-5-6-10-12(17)13-9(7-14(8)10)3-2-4-11(15)16/h5-7H,2-4H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid has a molecular weight of 234.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid is sourced from PubChem (CID 118500006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).