[ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid

C5H13N2O5P — CID 88779316

IUPAC[ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid
SMILES[H]/N=C(\OCC)N(OCC)P(=O)(O)O
InChIInChI=1S/C5H13N2O5P/c1-3-11-5(6)7(12-4-2)13(8,9)10/h6H,3-4H2,1-2H3,(H2,8,9,10)/b6-5-
InChIKeyWMGGDXKWLSNVTK-WAYWQWQTSA-N
MW212.14 g/mol
LogP0.30
Rot. Bonds4

About [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid

[ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid (PubChem CID 88779316) has the molecular formula C5H13N2O5P and a molecular weight of 212.14 g/mol. Its IUPAC name is [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid.

Molecular Properties

Compound Name[ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid
PubChem CID88779316
Molecular FormulaC5H13N2O5P
Molecular Weight212.14 g/mol
Exact Mass212.06
IUPAC Name[ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid
SMILES[H]/N=C(\OCC)N(OCC)P(=O)(O)O
InChIInChI=1S/C5H13N2O5P/c1-3-11-5(6)7(12-4-2)13(8,9)10/h6H,3-4H2,1-2H3,(H2,8,9,10)/b6-5-
InChIKeyWMGGDXKWLSNVTK-WAYWQWQTSA-N
XLogP0.30
TPSA103.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid?
The IUPAC name of [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid (CID 88779316) is [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid.
What is the SMILES notation for [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid?
The canonical SMILES for [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid is [H]/N=C(\OCC)N(OCC)P(=O)(O)O.
What is the InChIKey of [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid?
The InChIKey is WMGGDXKWLSNVTK-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H13N2O5P/c1-3-11-5(6)7(12-4-2)13(8,9)10/h6H,3-4H2,1-2H3,(H2,8,9,10)/b6-5-.
What are the key properties of [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid?
[ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid has a molecular weight of 212.14 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid is sourced from PubChem (CID 88779316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).