4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid

C11H11FN2O3 — CID 118498347

IUPAC4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
SMILESO=C(O)CCCc1cn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C11H11FN2O3/c12-7-4-9-11(17)13-8(6-14(9)5-7)2-1-3-10(15)16/h4-6H,1-3H2,(H,13,17)(H,15,16)
InChIKeyYNVFCGISEJUMJC-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.17
Rot. Bonds4

About 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid

4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid (PubChem CID 118498347) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
PubChem CID118498347
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid
SMILESO=C(O)CCCc1cn2cc(F)cc2c(=O)[nH]1
InChIInChI=1S/C11H11FN2O3/c12-7-4-9-11(17)13-8(6-14(9)5-7)2-1-3-10(15)16/h4-6H,1-3H2,(H,13,17)(H,15,16)
InChIKeyYNVFCGISEJUMJC-UHFFFAOYSA-N
XLogP1.17
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H,2H-pyrrolo(1,2-a)pyrazin-1-one
CID 15662088
Gaba-picolinoyl-N
CID 1713718
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
CID 25618948
[Methyl-(1H-pyrrole-2-carbonyl)-amino]-acetic acid
CID 10583571
2-amino-3-(1H-pyrrole-2-carbonylamino)propanoic acid
CID 44233652
(1,3-Dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl)-acetic acid
CID 10584466
1-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 14691769
N-(2-aminoethyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 28818848
3-Methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 56587779
3-(2-Isopropyl-1,3-dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl)-propionic acid
CID 10659247
3-(2-Methyl-1,3-dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl)-propionic acid
CID 10728494
3-(1,3-Dioxo-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazin-4-yl)-propionic acid
CID 10751487

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
The IUPAC name of 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid (CID 118498347) is 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid.
What is the SMILES notation for 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
The canonical SMILES for 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid is O=C(O)CCCc1cn2cc(F)cc2c(=O)[nH]1.
What is the InChIKey of 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
The InChIKey is YNVFCGISEJUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-7-4-9-11(17)13-8(6-14(9)5-7)2-1-3-10(15)16/h4-6H,1-3H2,(H,13,17)(H,15,16).
What are the key properties of 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid?
4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid has a molecular weight of 238.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)butanoic acid is sourced from PubChem (CID 118498347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).