3-azaniumylpropyl(methyl)phosphinate

C4H12NO2P — CID 28559746

IUPAC3-azaniumylpropyl(methyl)phosphinate
SMILESCP(=O)([O-])CCC[NH3+]
InChIInChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChIKeyNHVRIDDXGZPJTJ-UHFFFAOYSA-N
MW137.12 g/mol
LogP-1.11
Rot. Bonds3

About 3-azaniumylpropyl(methyl)phosphinate

3-azaniumylpropyl(methyl)phosphinate (PubChem CID 28559746) has the molecular formula C4H12NO2P and a molecular weight of 137.12 g/mol. Its IUPAC name is 3-azaniumylpropyl(methyl)phosphinate.

Molecular Properties

Compound Name3-azaniumylpropyl(methyl)phosphinate
PubChem CID28559746
Molecular FormulaC4H12NO2P
Molecular Weight137.12 g/mol
Exact Mass137.06
IUPAC Name3-azaniumylpropyl(methyl)phosphinate
SMILESCP(=O)([O-])CCC[NH3+]
InChIInChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)
InChIKeyNHVRIDDXGZPJTJ-UHFFFAOYSA-N
XLogP-1.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
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-azaniumylpropyl(methyl)phosphinate?
The IUPAC name of 3-azaniumylpropyl(methyl)phosphinate (CID 28559746) is 3-azaniumylpropyl(methyl)phosphinate.
What is the SMILES notation for 3-azaniumylpropyl(methyl)phosphinate?
The canonical SMILES for 3-azaniumylpropyl(methyl)phosphinate is CP(=O)([O-])CCC[NH3+].
What is the InChIKey of 3-azaniumylpropyl(methyl)phosphinate?
The InChIKey is NHVRIDDXGZPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7).
What are the key properties of 3-azaniumylpropyl(methyl)phosphinate?
3-azaniumylpropyl(methyl)phosphinate has a molecular weight of 137.12 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaniumylpropyl(methyl)phosphinate is sourced from PubChem (CID 28559746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).