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

C9H20N4O4 — CID 76587962

IUPAC3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide
SMILESCC(COCCC(N)=NO)OCCC(N)=NO
InChIInChI=1S/C9H20N4O4/c1-7(17-5-3-9(11)13-15)6-16-4-2-8(10)12-14/h7,14-15H,2-6H2,1H3,(H2,10,12)(H2,11,13)
InChIKeySAIVODHVVALIDE-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.32
Rot. Bonds9

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

3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide (PubChem CID 76587962) has the molecular formula C9H20N4O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide
PubChem CID76587962
Molecular FormulaC9H20N4O4
Molecular Weight248.28 g/mol
Exact Mass248.15
IUPAC Name3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide
SMILESCC(COCCC(N)=NO)OCCC(N)=NO
InChIInChI=1S/C9H20N4O4/c1-7(17-5-3-9(11)13-15)6-16-4-2-8(10)12-14/h7,14-15H,2-6H2,1H3,(H2,10,12)(H2,11,13)
InChIKeySAIVODHVVALIDE-UHFFFAOYSA-N
XLogP-0.32
TPSA135.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.32
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-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide (CID 76587962) is 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide is CC(COCCC(N)=NO)OCCC(N)=NO.
What is the InChIKey of 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide?
The InChIKey is SAIVODHVVALIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O4/c1-7(17-5-3-9(11)13-15)6-16-4-2-8(10)12-14/h7,14-15H,2-6H2,1H3,(H2,10,12)(H2,11,13).
What are the key properties of 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide?
3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide has a molecular weight of 248.28 g/mol, XLogP of -0.32, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-amino-3-hydroxyiminopropoxy)propoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76587962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).