4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane

C2H5NO2P+ — CID 90160072

IUPAC4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane
SMILESO[P+]1(O)C2NC21
InChIInChI=1S/C2H5NO2P/c4-6(5)1-2(6)3-1/h1-5H/q+1
InChIKeyUKXIWCHYQONHRI-UHFFFAOYSA-N
MW106.04 g/mol
LogP-0.91
Rot. Bonds

About 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane

4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane (PubChem CID 90160072) has the molecular formula C2H5NO2P+ and a molecular weight of 106.04 g/mol. Its IUPAC name is 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane.

Molecular Properties

Compound Name4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane
PubChem CID90160072
Molecular FormulaC2H5NO2P+
Molecular Weight106.04 g/mol
Exact Mass106.01
IUPAC Name4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane
SMILESO[P+]1(O)C2NC21
InChIInChI=1S/C2H5NO2P/c4-6(5)1-2(6)3-1/h1-5H/q+1
InChIKeyUKXIWCHYQONHRI-UHFFFAOYSA-N
XLogP-0.91
TPSA62.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.04
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane?
The IUPAC name of 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane (CID 90160072) is 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane.
What is the SMILES notation for 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane?
The canonical SMILES for 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane is O[P+]1(O)C2NC21.
What is the InChIKey of 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane?
The InChIKey is UKXIWCHYQONHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2P/c4-6(5)1-2(6)3-1/h1-5H/q+1.
What are the key properties of 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane?
4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane has a molecular weight of 106.04 g/mol, XLogP of -0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxy-2-aza-4-phosphoniabicyclo[1.1.0]butane is sourced from PubChem (CID 90160072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).