potassium ethyl-N-isopropylphosphonamidate

C5H13KNO2P+ — CID 131710024

IUPAC—
SMILESCCO[P+](=O)NC(C)C.[K]
InChIInChI=1S/C5H13NO2P.K/c1-4-8-9(7)6-5(2)3;/h5H,4H2,1-3H3,(H,6,7);/q+1;
InChIKeyAXERATBDYAUUJV-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.30
Rot. Bonds4

About potassium ethyl-N-isopropylphosphonamidate

potassium ethyl-N-isopropylphosphonamidate (PubChem CID 131710024) has the molecular formula C5H13KNO2P+ and a molecular weight of 189.24 g/mol.

Molecular Properties

Compound Namepotassium ethyl-N-isopropylphosphonamidate
PubChem CID131710024
Molecular FormulaC5H13KNO2P+
Molecular Weight189.24 g/mol
Exact Mass189.03
IUPAC Name—
SMILESCCO[P+](=O)NC(C)C.[K]
InChIInChI=1S/C5H13NO2P.K/c1-4-8-9(7)6-5(2)3;/h5H,4H2,1-3H3,(H,6,7);/q+1;
InChIKeyAXERATBDYAUUJV-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
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 potassium ethyl-N-isopropylphosphonamidate?
The IUPAC name of potassium ethyl-N-isopropylphosphonamidate (CID 131710024) is not available.
What is the SMILES notation for potassium ethyl-N-isopropylphosphonamidate?
The canonical SMILES for potassium ethyl-N-isopropylphosphonamidate is CCO[P+](=O)NC(C)C.[K].
What is the InChIKey of potassium ethyl-N-isopropylphosphonamidate?
The InChIKey is AXERATBDYAUUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2P.K/c1-4-8-9(7)6-5(2)3;/h5H,4H2,1-3H3,(H,6,7);/q+1;.
What are the key properties of potassium ethyl-N-isopropylphosphonamidate?
potassium ethyl-N-isopropylphosphonamidate has a molecular weight of 189.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethyl-N-isopropylphosphonamidate is sourced from PubChem (CID 131710024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).