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

C13H20N2O4 — CID 110284362

IUPAC2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
SMILESCCN1CCN(C(=O)C2CCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C13H20N2O4/c1-2-14-6-7-15(12(18)9-4-3-5-9)10(13(14)19)8-11(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyXDFBMLNVJXGSMM-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.32
Rot. Bonds4

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

2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284362) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284362
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid
SMILESCCN1CCN(C(=O)C2CCC2)C(CC(=O)O)C1=O
InChIInChI=1S/C13H20N2O4/c1-2-14-6-7-15(12(18)9-4-3-5-9)10(13(14)19)8-11(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyXDFBMLNVJXGSMM-UHFFFAOYSA-N
XLogP0.32
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid (CID 110284362) is 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid is CCN1CCN(C(=O)C2CCC2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is XDFBMLNVJXGSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-14-6-7-15(12(18)9-4-3-5-9)10(13(14)19)8-11(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid?
2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutanecarbonyl)-4-ethyl-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).