2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide

C8H18N4O4 — CID 87553087

IUPAC2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide
SMILESCC(OCCOC(C)/C(N)=N\O)/C(N)=N\O
InChIInChI=1S/C8H18N4O4/c1-5(7(9)11-13)15-3-4-16-6(2)8(10)12-14/h5-6,13-14H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyWWSWZBRCHWPBDH-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.71
Rot. Bonds7

About 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide

2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide (PubChem CID 87553087) has the molecular formula C8H18N4O4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide
PubChem CID87553087
Molecular FormulaC8H18N4O4
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide
SMILESCC(OCCOC(C)/C(N)=N\O)/C(N)=N\O
InChIInChI=1S/C8H18N4O4/c1-5(7(9)11-13)15-3-4-16-6(2)8(10)12-14/h5-6,13-14H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyWWSWZBRCHWPBDH-UHFFFAOYSA-N
XLogP-0.71
TPSA135.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide (CID 87553087) is 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide is CC(OCCOC(C)/C(N)=N\O)/C(N)=N\O.
What is the InChIKey of 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide?
The InChIKey is WWSWZBRCHWPBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O4/c1-5(7(9)11-13)15-3-4-16-6(2)8(10)12-14/h5-6,13-14H,3-4H2,1-2H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide?
2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide has a molecular weight of 234.26 g/mol, XLogP of -0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]oxyethoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 87553087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).