2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride

C8H12ClN3O4 — CID 53250844

IUPAC2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride
SMILESCl.NOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O4.ClH/c9-15-5-6(12)10-3-4-11-7(13)1-2-8(11)14;/h1-2H,3-5,9H2,(H,10,12);1H
InChIKeyBGCNYRPLYOBWJM-UHFFFAOYSA-N
MW249.65 g/mol
LogP-1.66
Rot. Bonds5

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

2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride (PubChem CID 53250844) has the molecular formula C8H12ClN3O4 and a molecular weight of 249.65 g/mol. Its IUPAC name is 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride
PubChem CID53250844
Molecular FormulaC8H12ClN3O4
Molecular Weight249.65 g/mol
Exact Mass249.05
IUPAC Name2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride
SMILESCl.NOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O4.ClH/c9-15-5-6(12)10-3-4-11-7(13)1-2-8(11)14;/h1-2H,3-5,9H2,(H,10,12);1H
InChIKeyBGCNYRPLYOBWJM-UHFFFAOYSA-N
XLogP-1.66
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 5-1.66
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'}

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Related Compounds

2-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]ethyl hypofluorite
CID 129103025
N-(2-aminoethyl)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetamide
CID 21299428
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-(methylaminooxy)acetamide
CID 59741601
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methoxyacetamide
CID 59741607
2-aminooxy-N-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 59741610
[2-[2-(2,5-Dioxopyrrol-1-yl)ethylamino]-2-oxoethoxy]carbamic acid
CID 87770559
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444
ethyl (1E)-N-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethoxy]ethanimidate
CID 89883568
methyl N-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethoxy]carbamate
CID 89884093
1-[2-(2-Hydroxyethylamino)ethyl]pyrrole-2,5-dione
CID 90070612
2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 90196811

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride (CID 53250844) is 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride is Cl.NOCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride?
The InChIKey is BGCNYRPLYOBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4.ClH/c9-15-5-6(12)10-3-4-11-7(13)1-2-8(11)14;/h1-2H,3-5,9H2,(H,10,12);1H.
What are the key properties of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride?
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride has a molecular weight of 249.65 g/mol, XLogP of -1.66, 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-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 53250844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).