2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide

C9H19N3O2 — CID 112672838

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide
SMILESCC(C)N1CCC(NOCC(N)=O)C1
InChIInChI=1S/C9H19N3O2/c1-7(2)12-4-3-8(5-12)11-14-6-9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyLWWHVGSAPBWWLN-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.52
Rot. Bonds5

About 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide

2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide (PubChem CID 112672838) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide
PubChem CID112672838
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide
SMILESCC(C)N1CCC(NOCC(N)=O)C1
InChIInChI=1S/C9H19N3O2/c1-7(2)12-4-3-8(5-12)11-14-6-9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13)
InChIKeyLWWHVGSAPBWWLN-UHFFFAOYSA-N
XLogP-0.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide (CID 112672838) is 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide is CC(C)N1CCC(NOCC(N)=O)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide?
The InChIKey is LWWHVGSAPBWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(2)12-4-3-8(5-12)11-14-6-9(10)13/h7-8,11H,3-6H2,1-2H3,(H2,10,13).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide?
2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide has a molecular weight of 201.27 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]oxyacetamide is sourced from PubChem (CID 112672838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).