N'-hydroxy-4-methoxybutanimidamide

C5H12N2O2 — CID 57363835

IUPACN'-hydroxy-4-methoxybutanimidamide
SMILESCOCCCC(N)=NO
InChIInChI=1S/C5H12N2O2/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyGHABASVZKLTRCC-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.16
Rot. Bonds4

About N'-hydroxy-4-methoxybutanimidamide

N'-hydroxy-4-methoxybutanimidamide (PubChem CID 57363835) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is N'-hydroxy-4-methoxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxybutanimidamide
PubChem CID57363835
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC NameN'-hydroxy-4-methoxybutanimidamide
SMILESCOCCCC(N)=NO
InChIInChI=1S/C5H12N2O2/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyGHABASVZKLTRCC-UHFFFAOYSA-N
XLogP0.16
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-hydroxy-4-methoxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 4390391
CID 4390391
CID 24697443
CID 24697443
CID 24701352
CID 24701352
CID 82003871
CID 82003871
CID 82955479
CID 82955479
CID 5044387
CID 5044387
CID 5243972
CID 5243972
CID 6087716
CID 6087716
CID 6311590
CID 6311590
CID 6526097
CID 6526097
CID 9689598
CID 9689598
CID 24698705
CID 24698705

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxybutanimidamide?
The IUPAC name of N'-hydroxy-4-methoxybutanimidamide (CID 57363835) is N'-hydroxy-4-methoxybutanimidamide.
What is the SMILES notation for N'-hydroxy-4-methoxybutanimidamide?
The canonical SMILES for N'-hydroxy-4-methoxybutanimidamide is COCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-methoxybutanimidamide?
The InChIKey is GHABASVZKLTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-9-4-2-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7).
What are the key properties of N'-hydroxy-4-methoxybutanimidamide?
N'-hydroxy-4-methoxybutanimidamide has a molecular weight of 132.16 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxybutanimidamide is sourced from PubChem (CID 57363835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).