hydroxy-(3-methoxypropoxy)-oxoazanium

C4H10NO4+ — CID 123732513

IUPAChydroxy-(3-methoxypropoxy)-oxoazanium
SMILESCOCCCO[N+](=O)O
InChIInChI=1S/C4H10NO4/c1-8-3-2-4-9-5(6)7/h2-4H2,1H3,(H,6,7)/q+1
InChIKeyZFSLIJOLZWGYKC-UHFFFAOYSA-N
MW136.13 g/mol
LogP0.12
Rot. Bonds5

About hydroxy-(3-methoxypropoxy)-oxoazanium

hydroxy-(3-methoxypropoxy)-oxoazanium (PubChem CID 123732513) has the molecular formula C4H10NO4+ and a molecular weight of 136.13 g/mol. Its IUPAC name is hydroxy-(3-methoxypropoxy)-oxoazanium.

Molecular Properties

Compound Namehydroxy-(3-methoxypropoxy)-oxoazanium
PubChem CID123732513
Molecular FormulaC4H10NO4+
Molecular Weight136.13 g/mol
Exact Mass136.06
IUPAC Namehydroxy-(3-methoxypropoxy)-oxoazanium
SMILESCOCCCO[N+](=O)O
InChIInChI=1S/C4H10NO4/c1-8-3-2-4-9-5(6)7/h2-4H2,1H3,(H,6,7)/q+1
InChIKeyZFSLIJOLZWGYKC-UHFFFAOYSA-N
XLogP0.12
TPSA58.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 hydroxy-(3-methoxypropoxy)-oxoazanium?
The IUPAC name of hydroxy-(3-methoxypropoxy)-oxoazanium (CID 123732513) is hydroxy-(3-methoxypropoxy)-oxoazanium.
What is the SMILES notation for hydroxy-(3-methoxypropoxy)-oxoazanium?
The canonical SMILES for hydroxy-(3-methoxypropoxy)-oxoazanium is COCCCO[N+](=O)O.
What is the InChIKey of hydroxy-(3-methoxypropoxy)-oxoazanium?
The InChIKey is ZFSLIJOLZWGYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4/c1-8-3-2-4-9-5(6)7/h2-4H2,1H3,(H,6,7)/q+1.
What are the key properties of hydroxy-(3-methoxypropoxy)-oxoazanium?
hydroxy-(3-methoxypropoxy)-oxoazanium has a molecular weight of 136.13 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-methoxypropoxy)-oxoazanium is sourced from PubChem (CID 123732513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).