2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid

C14H22N2O4 — CID 110284379

IUPAC2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
SMILESCCN1CCN(C(=O)C2CCCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C14H22N2O4/c1-2-15-7-8-16(11(14(15)20)9-12(17)18)13(19)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyXXBDTVZSZADAEA-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.71
Rot. Bonds4

About 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid

2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284379) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284379
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
SMILESCCN1CCN(C(=O)C2CCCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C14H22N2O4/c1-2-15-7-8-16(11(14(15)20)9-12(17)18)13(19)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyXXBDTVZSZADAEA-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid (CID 110284379) is 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid is CCN1CCN(C(=O)C2CCCC2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is XXBDTVZSZADAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-15-7-8-16(11(14(15)20)9-12(17)18)13(19)10-5-3-4-6-10/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).