3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide

C8H18N4O4 — CID 59557674

IUPAC3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide
SMILESN/C(CCOCCOCC/C(N)=N\O)=N\O
InChIInChI=1S/C8H18N4O4/c9-7(11-13)1-3-15-5-6-16-4-2-8(10)12-14/h13-14H,1-6H2,(H2,9,11)(H2,10,12)
InChIKeyFBHRAXWLCPIRAQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.71
Rot. Bonds9

About 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide

3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide (PubChem CID 59557674) has the molecular formula C8H18N4O4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide
PubChem CID59557674
Molecular FormulaC8H18N4O4
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide
SMILESN/C(CCOCCOCC/C(N)=N\O)=N\O
InChIInChI=1S/C8H18N4O4/c9-7(11-13)1-3-15-5-6-16-4-2-8(10)12-14/h13-14H,1-6H2,(H2,9,11)(H2,10,12)
InChIKeyFBHRAXWLCPIRAQ-UHFFFAOYSA-N
XLogP-0.71
TPSA135.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide (CID 59557674) is 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide is N/C(CCOCCOCC/C(N)=N\O)=N\O.
What is the InChIKey of 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide?
The InChIKey is FBHRAXWLCPIRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O4/c9-7(11-13)1-3-15-5-6-16-4-2-8(10)12-14/h13-14H,1-6H2,(H2,9,11)(H2,10,12).
What are the key properties of 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide?
3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide has a molecular weight of 234.26 g/mol, XLogP of -0.71, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3Z)-3-amino-3-hydroxyiminopropoxy]ethoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 59557674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).