4-oxo-4-(3-oxopiperazin-1-yl)butanoate

C8H11N2O4- — CID 6948655

IUPAC4-oxo-4-(3-oxopiperazin-1-yl)butanoate
SMILESO=C([O-])CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12N2O4/c11-6-5-10(4-3-9-6)7(12)1-2-8(13)14/h1-5H2,(H,9,11)(H,13,14)/p-1
InChIKeyMGEFIOXTZYMZPX-UHFFFAOYSA-M
MW199.19 g/mol
LogP-2.53
Rot. Bonds3

About 4-oxo-4-(3-oxopiperazin-1-yl)butanoate

4-oxo-4-(3-oxopiperazin-1-yl)butanoate (PubChem CID 6948655) has the molecular formula C8H11N2O4- and a molecular weight of 199.19 g/mol. Its IUPAC name is 4-oxo-4-(3-oxopiperazin-1-yl)butanoate.

Molecular Properties

Compound Name4-oxo-4-(3-oxopiperazin-1-yl)butanoate
PubChem CID6948655
Molecular FormulaC8H11N2O4-
Molecular Weight199.19 g/mol
Exact Mass199.07
IUPAC Name4-oxo-4-(3-oxopiperazin-1-yl)butanoate
SMILESO=C([O-])CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12N2O4/c11-6-5-10(4-3-9-6)7(12)1-2-8(13)14/h1-5H2,(H,9,11)(H,13,14)/p-1
InChIKeyMGEFIOXTZYMZPX-UHFFFAOYSA-M
XLogP-2.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-2.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
The IUPAC name of 4-oxo-4-(3-oxopiperazin-1-yl)butanoate (CID 6948655) is 4-oxo-4-(3-oxopiperazin-1-yl)butanoate.
What is the SMILES notation for 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
The canonical SMILES for 4-oxo-4-(3-oxopiperazin-1-yl)butanoate is O=C([O-])CCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
The InChIKey is MGEFIOXTZYMZPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12N2O4/c11-6-5-10(4-3-9-6)7(12)1-2-8(13)14/h1-5H2,(H,9,11)(H,13,14)/p-1.
What are the key properties of 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
4-oxo-4-(3-oxopiperazin-1-yl)butanoate has a molecular weight of 199.19 g/mol, XLogP of -2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(3-oxopiperazin-1-yl)butanoate is sourced from PubChem (CID 6948655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).