(3-aminocyclopentyl)oxyphosphinous acid;propane

C8H20NO2P — CID 176680866

IUPAC(3-aminocyclopentyl)oxyphosphinous acid;propane
SMILESCCC.NC1CCC(OPO)C1
InChIInChI=1S/C5H12NO2P.C3H8/c6-4-1-2-5(3-4)8-9-7;1-3-2/h4-5,7,9H,1-3,6H2;3H2,1-2H3
InChIKeyKYRTZRDLUHKREV-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.80
Rot. Bonds2

About (3-aminocyclopentyl)oxyphosphinous acid;propane

(3-aminocyclopentyl)oxyphosphinous acid;propane (PubChem CID 176680866) has the molecular formula C8H20NO2P and a molecular weight of 193.23 g/mol. Its IUPAC name is (3-aminocyclopentyl)oxyphosphinous acid;propane.

Molecular Properties

Compound Name(3-aminocyclopentyl)oxyphosphinous acid;propane
PubChem CID176680866
Molecular FormulaC8H20NO2P
Molecular Weight193.23 g/mol
Exact Mass193.12
IUPAC Name(3-aminocyclopentyl)oxyphosphinous acid;propane
SMILESCCC.NC1CCC(OPO)C1
InChIInChI=1S/C5H12NO2P.C3H8/c6-4-1-2-5(3-4)8-9-7;1-3-2/h4-5,7,9H,1-3,6H2;3H2,1-2H3
InChIKeyKYRTZRDLUHKREV-UHFFFAOYSA-N
XLogP1.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminocyclopentyl)oxyphosphinous acid;propane?
The IUPAC name of (3-aminocyclopentyl)oxyphosphinous acid;propane (CID 176680866) is (3-aminocyclopentyl)oxyphosphinous acid;propane.
What is the SMILES notation for (3-aminocyclopentyl)oxyphosphinous acid;propane?
The canonical SMILES for (3-aminocyclopentyl)oxyphosphinous acid;propane is CCC.NC1CCC(OPO)C1.
What is the InChIKey of (3-aminocyclopentyl)oxyphosphinous acid;propane?
The InChIKey is KYRTZRDLUHKREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2P.C3H8/c6-4-1-2-5(3-4)8-9-7;1-3-2/h4-5,7,9H,1-3,6H2;3H2,1-2H3.
What are the key properties of (3-aminocyclopentyl)oxyphosphinous acid;propane?
(3-aminocyclopentyl)oxyphosphinous acid;propane has a molecular weight of 193.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)oxyphosphinous acid;propane is sourced from PubChem (CID 176680866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).