[1-amino-2-(propylamino)ethyl]phosphonic acid

C5H15N2O3P — CID 86140993

IUPAC[1-amino-2-(propylamino)ethyl]phosphonic acid
SMILESCCCNCC(N)P(=O)(O)O
InChIInChI=1S/C5H15N2O3P/c1-2-3-7-4-5(6)11(8,9)10/h5,7H,2-4,6H2,1H3,(H2,8,9,10)
InChIKeyWQIIZRIJSQZVGR-UHFFFAOYSA-N
MW182.16 g/mol
LogP-0.55
Rot. Bonds5

About [1-amino-2-(propylamino)ethyl]phosphonic acid

[1-amino-2-(propylamino)ethyl]phosphonic acid (PubChem CID 86140993) has the molecular formula C5H15N2O3P and a molecular weight of 182.16 g/mol. Its IUPAC name is [1-amino-2-(propylamino)ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-amino-2-(propylamino)ethyl]phosphonic acid
PubChem CID86140993
Molecular FormulaC5H15N2O3P
Molecular Weight182.16 g/mol
Exact Mass182.08
IUPAC Name[1-amino-2-(propylamino)ethyl]phosphonic acid
SMILESCCCNCC(N)P(=O)(O)O
InChIInChI=1S/C5H15N2O3P/c1-2-3-7-4-5(6)11(8,9)10/h5,7H,2-4,6H2,1H3,(H2,8,9,10)
InChIKeyWQIIZRIJSQZVGR-UHFFFAOYSA-N
XLogP-0.55
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(propylamino)ethyl]phosphonic acid?
The IUPAC name of [1-amino-2-(propylamino)ethyl]phosphonic acid (CID 86140993) is [1-amino-2-(propylamino)ethyl]phosphonic acid.
What is the SMILES notation for [1-amino-2-(propylamino)ethyl]phosphonic acid?
The canonical SMILES for [1-amino-2-(propylamino)ethyl]phosphonic acid is CCCNCC(N)P(=O)(O)O.
What is the InChIKey of [1-amino-2-(propylamino)ethyl]phosphonic acid?
The InChIKey is WQIIZRIJSQZVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2O3P/c1-2-3-7-4-5(6)11(8,9)10/h5,7H,2-4,6H2,1H3,(H2,8,9,10).
What are the key properties of [1-amino-2-(propylamino)ethyl]phosphonic acid?
[1-amino-2-(propylamino)ethyl]phosphonic acid has a molecular weight of 182.16 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(propylamino)ethyl]phosphonic acid is sourced from PubChem (CID 86140993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).