2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid

C9H14N2O4 — CID 20746981

IUPAC2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid
SMILESCCC(=O)N1CCN(CC(=O)O)C(=O)C1
InChIInChI=1S/C9H14N2O4/c1-2-7(12)10-3-4-11(6-9(14)15)8(13)5-10/h2-6H2,1H3,(H,14,15)
InChIKeyYTLIJESISYZIMU-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.85
Rot. Bonds3

About 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid

2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid (PubChem CID 20746981) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid
PubChem CID20746981
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid
SMILESCCC(=O)N1CCN(CC(=O)O)C(=O)C1
InChIInChI=1S/C9H14N2O4/c1-2-7(12)10-3-4-11(6-9(14)15)8(13)5-10/h2-6H2,1H3,(H,14,15)
InChIKeyYTLIJESISYZIMU-UHFFFAOYSA-N
XLogP-0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid (CID 20746981) is 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid is CCC(=O)N1CCN(CC(=O)O)C(=O)C1.
What is the InChIKey of 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid?
The InChIKey is YTLIJESISYZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-7(12)10-3-4-11(6-9(14)15)8(13)5-10/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid?
2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid has a molecular weight of 214.22 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propanoylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 20746981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).