2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid

C7H10N2O4 — CID 10679103

IUPAC2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid
SMILESCN1C(=O)CN(CC(=O)O)CC1=O
InChIInChI=1S/C7H10N2O4/c1-8-5(10)2-9(3-6(8)11)4-7(12)13/h2-4H2,1H3,(H,12,13)
InChIKeySTZUPKAXFHAYFN-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.63
Rot. Bonds2

About 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid

2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid (PubChem CID 10679103) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid
PubChem CID10679103
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid
SMILESCN1C(=O)CN(CC(=O)O)CC1=O
InChIInChI=1S/C7H10N2O4/c1-8-5(10)2-9(3-6(8)11)4-7(12)13/h2-4H2,1H3,(H,12,13)
InChIKeySTZUPKAXFHAYFN-UHFFFAOYSA-N
XLogP-1.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid (CID 10679103) is 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid is CN1C(=O)CN(CC(=O)O)CC1=O.
What is the InChIKey of 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid?
The InChIKey is STZUPKAXFHAYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-8-5(10)2-9(3-6(8)11)4-7(12)13/h2-4H2,1H3,(H,12,13).
What are the key properties of 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid?
2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid has a molecular weight of 186.17 g/mol, XLogP of -1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,5-dioxopiperazin-1-yl)acetic acid is sourced from PubChem (CID 10679103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).