5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

C13H18N4O3 — CID 2815238

IUPAC5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N4O3/c18-11(3-1-4-12(19)20)16-7-9-17(10-8-16)13-14-5-2-6-15-13/h2,5-6H,1,3-4,7-10H2,(H,19,20)
InChIKeyXEKCHYPXTVYOPL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.38
Rot. Bonds5

About 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (PubChem CID 2815238) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
PubChem CID2815238
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N4O3/c18-11(3-1-4-12(19)20)16-7-9-17(10-8-16)13-14-5-2-6-15-13/h2,5-6H,1,3-4,7-10H2,(H,19,20)
InChIKeyXEKCHYPXTVYOPL-UHFFFAOYSA-N
XLogP0.38
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (CID 2815238) is 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is O=C(O)CCCC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The InChIKey is XEKCHYPXTVYOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-11(3-1-4-12(19)20)16-7-9-17(10-8-16)13-14-5-2-6-15-13/h2,5-6H,1,3-4,7-10H2,(H,19,20).
What are the key properties of 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 2815238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).