5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid

C11H20N2O4 — CID 2051427

IUPAC5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H20N2O4/c14-9-8-12-4-6-13(7-5-12)10(15)2-1-3-11(16)17/h14H,1-9H2,(H,16,17)
InChIKeyITRNAFIVHFARBP-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.62
Rot. Bonds6

About 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid

5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 2051427) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid
PubChem CID2051427
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H20N2O4/c14-9-8-12-4-6-13(7-5-12)10(15)2-1-3-11(16)17/h14H,1-9H2,(H,16,17)
InChIKeyITRNAFIVHFARBP-UHFFFAOYSA-N
XLogP-0.62
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid (CID 2051427) is 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is ITRNAFIVHFARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c14-9-8-12-4-6-13(7-5-12)10(15)2-1-3-11(16)17/h14H,1-9H2,(H,16,17).
What are the key properties of 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid?
5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 2051427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).