3-aminopropyl-hydroxy-oxophosphanium

C3H9NO2P+ — CID 6335948

IUPAC3-aminopropyl-hydroxy-oxophosphanium
SMILESNCCC[P+](=O)O
InChIInChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChIKeyMQIWYGZSHIXQIU-UHFFFAOYSA-O
MW122.08 g/mol
LogP0.07
Rot. Bonds3

About 3-aminopropyl-hydroxy-oxophosphanium

3-aminopropyl-hydroxy-oxophosphanium (PubChem CID 6335948) has the molecular formula C3H9NO2P+ and a molecular weight of 122.08 g/mol. Its IUPAC name is 3-aminopropyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name3-aminopropyl-hydroxy-oxophosphanium
PubChem CID6335948
Molecular FormulaC3H9NO2P+
Molecular Weight122.08 g/mol
Exact Mass122.04
IUPAC Name3-aminopropyl-hydroxy-oxophosphanium
SMILESNCCC[P+](=O)O
InChIInChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChIKeyMQIWYGZSHIXQIU-UHFFFAOYSA-O
XLogP0.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-hydroxy-oxophosphanium?
The IUPAC name of 3-aminopropyl-hydroxy-oxophosphanium (CID 6335948) is 3-aminopropyl-hydroxy-oxophosphanium.
What is the SMILES notation for 3-aminopropyl-hydroxy-oxophosphanium?
The canonical SMILES for 3-aminopropyl-hydroxy-oxophosphanium is NCCC[P+](=O)O.
What is the InChIKey of 3-aminopropyl-hydroxy-oxophosphanium?
The InChIKey is MQIWYGZSHIXQIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1.
What are the key properties of 3-aminopropyl-hydroxy-oxophosphanium?
3-aminopropyl-hydroxy-oxophosphanium has a molecular weight of 122.08 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-hydroxy-oxophosphanium is sourced from PubChem (CID 6335948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).