2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide

C9H14N4O4 — CID 66061602

IUPAC2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC1C(=O)NC(=O)CN1C(=O)CNC(=O)CN
InChIInChI=1S/C9H14N4O4/c1-5-9(17)12-7(15)4-13(5)8(16)3-11-6(14)2-10/h5H,2-4,10H2,1H3,(H,11,14)(H,12,15,17)
InChIKeyWYLZUUSDAPDYNV-UHFFFAOYSA-N
MW242.23 g/mol
LogP-3.07
Rot. Bonds3

About 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide

2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 66061602) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID66061602
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC1C(=O)NC(=O)CN1C(=O)CNC(=O)CN
InChIInChI=1S/C9H14N4O4/c1-5-9(17)12-7(15)4-13(5)8(16)3-11-6(14)2-10/h5H,2-4,10H2,1H3,(H,11,14)(H,12,15,17)
InChIKeyWYLZUUSDAPDYNV-UHFFFAOYSA-N
XLogP-3.07
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-3.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide (CID 66061602) is 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide is CC1C(=O)NC(=O)CN1C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is WYLZUUSDAPDYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-5-9(17)12-7(15)4-13(5)8(16)3-11-6(14)2-10/h5H,2-4,10H2,1H3,(H,11,14)(H,12,15,17).
What are the key properties of 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide?
2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 242.23 g/mol, XLogP of -3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 66061602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).