(2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide

C8H15N3O2 — CID 46878163

IUPAC(2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide
SMILESCC[C@@H](/C(N)=N\O)N1CCCC1=O
InChIInChI=1S/C8H15N3O2/c1-2-6(8(9)10-13)11-5-3-4-7(11)12/h6,13H,2-5H2,1H3,(H2,9,10)/t6-/m0/s1
InChIKeyUHBBJLPPXNGVDE-LURJTMIESA-N
MW185.23 g/mol
LogP0.13
Rot. Bonds3

About (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide

(2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide (PubChem CID 46878163) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide
PubChem CID46878163
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide
SMILESCC[C@@H](/C(N)=N\O)N1CCCC1=O
InChIInChI=1S/C8H15N3O2/c1-2-6(8(9)10-13)11-5-3-4-7(11)12/h6,13H,2-5H2,1H3,(H2,9,10)/t6-/m0/s1
InChIKeyUHBBJLPPXNGVDE-LURJTMIESA-N
XLogP0.13
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide?
The IUPAC name of (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide (CID 46878163) is (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide?
The canonical SMILES for (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide is CC[C@@H](/C(N)=N\O)N1CCCC1=O.
What is the InChIKey of (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide?
The InChIKey is UHBBJLPPXNGVDE-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-6(8(9)10-13)11-5-3-4-7(11)12/h6,13H,2-5H2,1H3,(H2,9,10)/t6-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide?
(2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide has a molecular weight of 185.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-(2-oxopyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 46878163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).