5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid

C16H15FN2O5 — CID 10131735

IUPAC5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CC(NC(=O)Cn1ccc2ccccc2c1=O)C(=O)CF
InChIInChI=1S/C16H15FN2O5/c17-8-13(20)12(7-15(22)23)18-14(21)9-19-6-5-10-3-1-2-4-11(10)16(19)24/h1-6,12H,7-9H2,(H,18,21)(H,22,23)
InChIKeyZVRJNKWYXSNIPO-UHFFFAOYSA-N
MW334.30 g/mol
LogP0.50
Rot. Bonds7

About 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid

5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid (PubChem CID 10131735) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid
PubChem CID10131735
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CC(NC(=O)Cn1ccc2ccccc2c1=O)C(=O)CF
InChIInChI=1S/C16H15FN2O5/c17-8-13(20)12(7-15(22)23)18-14(21)9-19-6-5-10-3-1-2-4-11(10)16(19)24/h1-6,12H,7-9H2,(H,18,21)(H,22,23)
InChIKeyZVRJNKWYXSNIPO-UHFFFAOYSA-N
XLogP0.50
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid (CID 10131735) is 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid is O=C(O)CC(NC(=O)Cn1ccc2ccccc2c1=O)C(=O)CF.
What is the InChIKey of 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid?
The InChIKey is ZVRJNKWYXSNIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c17-8-13(20)12(7-15(22)23)18-14(21)9-19-6-5-10-3-1-2-4-11(10)16(19)24/h1-6,12H,7-9H2,(H,18,21)(H,22,23).
What are the key properties of 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid?
5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid has a molecular weight of 334.30 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 10131735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).