2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide

C9H13N3O4 — CID 59741610

IUPAC2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESCC1=CC(=O)N(CCNC(=O)CON)C1=O
InChIInChI=1S/C9H13N3O4/c1-6-4-8(14)12(9(6)15)3-2-11-7(13)5-16-10/h4H,2-3,5,10H2,1H3,(H,11,13)
InChIKeyHRUCYNSCDNMPOI-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.69
Rot. Bonds5

About 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide

2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide (PubChem CID 59741610) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide
PubChem CID59741610
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESCC1=CC(=O)N(CCNC(=O)CON)C1=O
InChIInChI=1S/C9H13N3O4/c1-6-4-8(14)12(9(6)15)3-2-11-7(13)5-16-10/h4H,2-3,5,10H2,1H3,(H,11,13)
InChIKeyHRUCYNSCDNMPOI-UHFFFAOYSA-N
XLogP-1.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The IUPAC name of 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide (CID 59741610) is 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide is CC1=CC(=O)N(CCNC(=O)CON)C1=O.
What is the InChIKey of 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The InChIKey is HRUCYNSCDNMPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-6-4-8(14)12(9(6)15)3-2-11-7(13)5-16-10/h4H,2-3,5,10H2,1H3,(H,11,13).
What are the key properties of 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide?
2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide has a molecular weight of 227.22 g/mol, XLogP of -1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide is sourced from PubChem (CID 59741610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).