2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide

C7H14N6O — CID 123716393

IUPAC2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide
SMILES[H]/N=C(\N)N=C(N)C(=O)N1CCC(N)C1
InChIInChI=1S/C7H14N6O/c8-4-1-2-13(3-4)6(14)5(9)12-7(10)11/h4H,1-3,8H2,(H5,9,10,11,12)
InChIKeyWPIALCQAHZQLTF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-2.20
Rot. Bonds

About 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide

2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide (PubChem CID 123716393) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide
PubChem CID123716393
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide
SMILES[H]/N=C(\N)N=C(N)C(=O)N1CCC(N)C1
InChIInChI=1S/C7H14N6O/c8-4-1-2-13(3-4)6(14)5(9)12-7(10)11/h4H,1-3,8H2,(H5,9,10,11,12)
InChIKeyWPIALCQAHZQLTF-UHFFFAOYSA-N
XLogP-2.20
TPSA134.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide (CID 123716393) is 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide is [H]/N=C(\N)N=C(N)C(=O)N1CCC(N)C1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide?
The InChIKey is WPIALCQAHZQLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c8-4-1-2-13(3-4)6(14)5(9)12-7(10)11/h4H,1-3,8H2,(H5,9,10,11,12).
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide?
2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide has a molecular weight of 198.23 g/mol, XLogP of -2.20, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide is sourced from PubChem (CID 123716393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).