2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid

C7H11N3O4 — CID 2757364

IUPAC2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid
SMILESNC(=O)N1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C7H11N3O4/c8-7(14)10-3-1-9(2-4-10)5(11)6(12)13/h1-4H2,(H2,8,14)(H,12,13)
InChIKeyMRLWVWDFBJVGGE-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.71
Rot. Bonds

About 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid

2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid (PubChem CID 2757364) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid
PubChem CID2757364
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid
SMILESNC(=O)N1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C7H11N3O4/c8-7(14)10-3-1-9(2-4-10)5(11)6(12)13/h1-4H2,(H2,8,14)(H,12,13)
InChIKeyMRLWVWDFBJVGGE-UHFFFAOYSA-N
XLogP-1.71
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid?
The IUPAC name of 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid (CID 2757364) is 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid is NC(=O)N1CCN(C(=O)C(=O)O)CC1.
What is the InChIKey of 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid?
The InChIKey is MRLWVWDFBJVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c8-7(14)10-3-1-9(2-4-10)5(11)6(12)13/h1-4H2,(H2,8,14)(H,12,13).
What are the key properties of 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid?
2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid has a molecular weight of 201.18 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperazin-1-yl)-2-oxoacetic acid is sourced from PubChem (CID 2757364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).