hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium

C4H10NO4+ — CID 101015590

IUPAChydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium
SMILESCC(CCO)O[N+](=O)O
InChIInChI=1S/C4H10NO4/c1-4(2-3-6)9-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/q+1
InChIKeyFRJDZWZRRPSHIS-UHFFFAOYSA-N
MW136.13 g/mol
LogP-0.14
Rot. Bonds4

About hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium

hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium (PubChem CID 101015590) has the molecular formula C4H10NO4+ and a molecular weight of 136.13 g/mol. Its IUPAC name is hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium.

Molecular Properties

Compound Namehydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium
PubChem CID101015590
Molecular FormulaC4H10NO4+
Molecular Weight136.13 g/mol
Exact Mass136.06
IUPAC Namehydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium
SMILESCC(CCO)O[N+](=O)O
InChIInChI=1S/C4H10NO4/c1-4(2-3-6)9-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/q+1
InChIKeyFRJDZWZRRPSHIS-UHFFFAOYSA-N
XLogP-0.14
TPSA69.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium?
The IUPAC name of hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium (CID 101015590) is hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium.
What is the SMILES notation for hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium?
The canonical SMILES for hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium is CC(CCO)O[N+](=O)O.
What is the InChIKey of hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium?
The InChIKey is FRJDZWZRRPSHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4/c1-4(2-3-6)9-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/q+1.
What are the key properties of hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium?
hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium has a molecular weight of 136.13 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-hydroxybutan-2-yloxy)-oxoazanium is sourced from PubChem (CID 101015590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).