sodium (2-aminoethylamino)oxy-ethylphosphinate

C4H12N2NaO3P — CID 175452891

IUPACsodium (2-aminoethylamino)oxy-ethylphosphinate
SMILESCCP(=O)([O-])ONCCN.[Na+]
InChIInChI=1S/C4H13N2O3P.Na/c1-2-10(7,8)9-6-4-3-5;/h6H,2-5H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyVXOGMZNXDKCSHZ-UHFFFAOYSA-M
MW190.11 g/mol
LogP-3.96
Rot. Bonds5

About sodium (2-aminoethylamino)oxy-ethylphosphinate

sodium (2-aminoethylamino)oxy-ethylphosphinate (PubChem CID 175452891) has the molecular formula C4H12N2NaO3P and a molecular weight of 190.11 g/mol. Its IUPAC name is sodium (2-aminoethylamino)oxy-ethylphosphinate.

Molecular Properties

Compound Namesodium (2-aminoethylamino)oxy-ethylphosphinate
PubChem CID175452891
Molecular FormulaC4H12N2NaO3P
Molecular Weight190.11 g/mol
Exact Mass190.05
IUPAC Namesodium (2-aminoethylamino)oxy-ethylphosphinate
SMILESCCP(=O)([O-])ONCCN.[Na+]
InChIInChI=1S/C4H13N2O3P.Na/c1-2-10(7,8)9-6-4-3-5;/h6H,2-5H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyVXOGMZNXDKCSHZ-UHFFFAOYSA-M
XLogP-3.96
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 5-3.96
H-Bond Donors ≤ 52
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'}

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Related Compounds

(2-aminoethylamino) phosphate;manganese(2+)
CID 175393374
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320
alumane;tris(2-aminoethylamino) phosphate
CID 175212348
(2-aminoethylamino) dihydrogen phosphate;platinum
CID 175317533
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
alumane;(2-aminoethylamino)oxy-butylphosphinic acid
CID 175052605
calcium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;phosphate
CID 174896105
N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine
CID 175151410
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
CID 57234029
[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
CID 175606321
sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
CID 173095096

Frequently Asked Questions

What is the IUPAC name of sodium (2-aminoethylamino)oxy-ethylphosphinate?
The IUPAC name of sodium (2-aminoethylamino)oxy-ethylphosphinate (CID 175452891) is sodium (2-aminoethylamino)oxy-ethylphosphinate.
What is the SMILES notation for sodium (2-aminoethylamino)oxy-ethylphosphinate?
The canonical SMILES for sodium (2-aminoethylamino)oxy-ethylphosphinate is CCP(=O)([O-])ONCCN.[Na+].
What is the InChIKey of sodium (2-aminoethylamino)oxy-ethylphosphinate?
The InChIKey is VXOGMZNXDKCSHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H13N2O3P.Na/c1-2-10(7,8)9-6-4-3-5;/h6H,2-5H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium (2-aminoethylamino)oxy-ethylphosphinate?
sodium (2-aminoethylamino)oxy-ethylphosphinate has a molecular weight of 190.11 g/mol, XLogP of -3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-aminoethylamino)oxy-ethylphosphinate is sourced from PubChem (CID 175452891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).