[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid

C7H20N3O3P — CID 175606321

IUPAC[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
SMILESCCCP(=O)(O)ONCCNCCN
InChIInChI=1S/C7H20N3O3P/c1-2-7-14(11,12)13-10-6-5-9-4-3-8/h9-10H,2-8H2,1H3,(H,11,12)
InChIKeyYJBPTYUXPTZQMH-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.35
Rot. Bonds9

About [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid

[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid (PubChem CID 175606321) has the molecular formula C7H20N3O3P and a molecular weight of 225.23 g/mol. Its IUPAC name is [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid.

Molecular Properties

Compound Name[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
PubChem CID175606321
Molecular FormulaC7H20N3O3P
Molecular Weight225.23 g/mol
Exact Mass225.12
IUPAC Name[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
SMILESCCCP(=O)(O)ONCCNCCN
InChIInChI=1S/C7H20N3O3P/c1-2-7-14(11,12)13-10-6-5-9-4-3-8/h9-10H,2-8H2,1H3,(H,11,12)
InChIKeyYJBPTYUXPTZQMH-UHFFFAOYSA-N
XLogP-0.35
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 173094919
magnesium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 175098110
sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
CID 173095096
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
CID 57234029
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
sodium;[2-(2-aminoethylamino)ethylamino] [hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate;hydride
CID 175158289
formaldehyde;N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 174938120
azane;N'-propylethane-1,2-diamine
CID 87476258
(2-aminoethylamino) dihydrogen phosphate;platinum
CID 175317533
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid?
The IUPAC name of [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid (CID 175606321) is [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid.
What is the SMILES notation for [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid?
The canonical SMILES for [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid is CCCP(=O)(O)ONCCNCCN.
What is the InChIKey of [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid?
The InChIKey is YJBPTYUXPTZQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N3O3P/c1-2-7-14(11,12)13-10-6-5-9-4-3-8/h9-10H,2-8H2,1H3,(H,11,12).
What are the key properties of [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid?
[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid has a molecular weight of 225.23 g/mol, XLogP of -0.35, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid is sourced from PubChem (CID 175606321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).