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

C8H11N3O4 — CID 53250845

IUPAC2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESNOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O4/c9-15-5-6(12)10-3-4-11-7(13)1-2-8(11)14/h1-2H,3-5,9H2,(H,10,12)
InChIKeyOZRBNKSPIYKCCW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-2.08
Rot. Bonds5

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

2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (PubChem CID 53250845) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
PubChem CID53250845
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESNOCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H11N3O4/c9-15-5-6(12)10-3-4-11-7(13)1-2-8(11)14/h1-2H,3-5,9H2,(H,10,12)
InChIKeyOZRBNKSPIYKCCW-UHFFFAOYSA-N
XLogP-2.08
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-2.08
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-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444
2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide
CID 166990918
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
CID 123560915
CID 123560915
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethyl hydrogen carbonate
CID 134600059
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(thiaselenin-3-yl)propanamide
CID 166156325
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide
CID 166156326
tert-butyl N-[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutyl]carbamate
CID 154932340
2-[[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetyl]amino]acetic acid
CID 59709152
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(2-prop-2-ynoxyethoxy)propanamide
CID 172937368

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The IUPAC name of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (CID 53250845) is 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is NOCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The InChIKey is OZRBNKSPIYKCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-15-5-6(12)10-3-4-11-7(13)1-2-8(11)14/h1-2H,3-5,9H2,(H,10,12).
What are the key properties of 2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide has a molecular weight of 213.19 g/mol, XLogP of -2.08, 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 is sourced from PubChem (CID 53250845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).