2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide

C9H19N3O2 — CID 112673893

IUPAC2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
SMILESNC(=O)CONCCCN1CCCC1
InChIInChI=1S/C9H19N3O2/c10-9(13)8-14-11-4-3-7-12-5-1-2-6-12/h11H,1-8H2,(H2,10,13)
InChIKeyACFCZHLPAYDUMX-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.52
Rot. Bonds7

About 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide

2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide (PubChem CID 112673893) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
PubChem CID112673893
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide
SMILESNC(=O)CONCCCN1CCCC1
InChIInChI=1S/C9H19N3O2/c10-9(13)8-14-11-4-3-7-12-5-1-2-6-12/h11H,1-8H2,(H2,10,13)
InChIKeyACFCZHLPAYDUMX-UHFFFAOYSA-N
XLogP-0.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-pyrrolidin-1-ylpropoxy)butanamide
CID 166535880
N-ethoxy-3-pyrrolidin-1-ylpropan-1-amine
CID 64974363
3-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60669793
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
11-pyrrolidin-1-ylundecanamide
CID 175975624
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
2-[2-(2-oxoimidazolidin-1-yl)ethylamino]oxyacetamide
CID 112673784
2-(2-aminoethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 79464083
3-pyrrolidin-1-ylpropyl N-[6-(3-pyrrolidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847303
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]oxyacetamide
CID 112673980
2-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide (CID 112673893) is 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide is NC(=O)CONCCCN1CCCC1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide?
The InChIKey is ACFCZHLPAYDUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(13)8-14-11-4-3-7-12-5-1-2-6-12/h11H,1-8H2,(H2,10,13).
What are the key properties of 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide?
2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide has a molecular weight of 201.27 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropylamino)oxyacetamide is sourced from PubChem (CID 112673893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).