2-(2-pyrrolidin-1-ylethylamino)oxyacetamide

C8H17N3O2 — CID 107911876

IUPAC2-(2-pyrrolidin-1-ylethylamino)oxyacetamide
SMILESNC(=O)CONCCN1CCCC1
InChIInChI=1S/C8H17N3O2/c9-8(12)7-13-10-3-6-11-4-1-2-5-11/h10H,1-7H2,(H2,9,12)
InChIKeyGOHXDYICNYSODU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.91
Rot. Bonds6

About 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide

2-(2-pyrrolidin-1-ylethylamino)oxyacetamide (PubChem CID 107911876) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylamino)oxyacetamide
PubChem CID107911876
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-(2-pyrrolidin-1-ylethylamino)oxyacetamide
SMILESNC(=O)CONCCN1CCCC1
InChIInChI=1S/C8H17N3O2/c9-8(12)7-13-10-3-6-11-4-1-2-5-11/h10H,1-7H2,(H2,9,12)
InChIKeyGOHXDYICNYSODU-UHFFFAOYSA-N
XLogP-0.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide (CID 107911876) is 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide is NC(=O)CONCCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide?
The InChIKey is GOHXDYICNYSODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(12)7-13-10-3-6-11-4-1-2-5-11/h10H,1-7H2,(H2,9,12).
What are the key properties of 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide?
2-(2-pyrrolidin-1-ylethylamino)oxyacetamide has a molecular weight of 187.24 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylamino)oxyacetamide is sourced from PubChem (CID 107911876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).