3-azaniumylpropyl(hydroxy)phosphinate

C3H10NO3P — CID 4868255

IUPAC3-azaniumylpropyl(hydroxy)phosphinate
SMILES[NH3+]CCCP(=O)([O-])O
InChIInChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)
InChIKeyGSZQTIFGANBTNF-UHFFFAOYSA-N
MW139.09 g/mol
LogP-1.84
Rot. Bonds3

About 3-azaniumylpropyl(hydroxy)phosphinate

3-azaniumylpropyl(hydroxy)phosphinate (PubChem CID 4868255) has the molecular formula C3H10NO3P and a molecular weight of 139.09 g/mol. Its IUPAC name is 3-azaniumylpropyl(hydroxy)phosphinate.

Molecular Properties

Compound Name3-azaniumylpropyl(hydroxy)phosphinate
PubChem CID4868255
Molecular FormulaC3H10NO3P
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Name3-azaniumylpropyl(hydroxy)phosphinate
SMILES[NH3+]CCCP(=O)([O-])O
InChIInChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)
InChIKeyGSZQTIFGANBTNF-UHFFFAOYSA-N
XLogP-1.84
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-1.84
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-azaniumylpropyl(hydroxy)phosphinate?
The IUPAC name of 3-azaniumylpropyl(hydroxy)phosphinate (CID 4868255) is 3-azaniumylpropyl(hydroxy)phosphinate.
What is the SMILES notation for 3-azaniumylpropyl(hydroxy)phosphinate?
The canonical SMILES for 3-azaniumylpropyl(hydroxy)phosphinate is [NH3+]CCCP(=O)([O-])O.
What is the InChIKey of 3-azaniumylpropyl(hydroxy)phosphinate?
The InChIKey is GSZQTIFGANBTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7).
What are the key properties of 3-azaniumylpropyl(hydroxy)phosphinate?
3-azaniumylpropyl(hydroxy)phosphinate has a molecular weight of 139.09 g/mol, XLogP of -1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaniumylpropyl(hydroxy)phosphinate is sourced from PubChem (CID 4868255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).