hydron;2-hydroxyethylazanium;phosphonatoformamide

C3H11N2O5P — CID 21391394

IUPAChydron;2-hydroxyethylazanium;phosphonatoformamide
SMILESNC(=O)P(=O)([O-])[O-].[H+].[NH3+]CCO
InChIInChI=1S/C2H7NO.CH4NO4P/c3-1-2-4;2-1(3)7(4,5)6/h4H,1-3H2;(H2,2,3)(H2,4,5,6)
InChIKeyPNLHIDSMPHCWAW-UHFFFAOYSA-N
MW186.10 g/mol
LogP-3.69
Rot. Bonds2

About hydron;2-hydroxyethylazanium;phosphonatoformamide

hydron;2-hydroxyethylazanium;phosphonatoformamide (PubChem CID 21391394) has the molecular formula C3H11N2O5P and a molecular weight of 186.10 g/mol. Its IUPAC name is hydron;2-hydroxyethylazanium;phosphonatoformamide.

Molecular Properties

Compound Namehydron;2-hydroxyethylazanium;phosphonatoformamide
PubChem CID21391394
Molecular FormulaC3H11N2O5P
Molecular Weight186.10 g/mol
Exact Mass186.04
IUPAC Namehydron;2-hydroxyethylazanium;phosphonatoformamide
SMILESNC(=O)P(=O)([O-])[O-].[H+].[NH3+]CCO
InChIInChI=1S/C2H7NO.CH4NO4P/c3-1-2-4;2-1(3)7(4,5)6/h4H,1-3H2;(H2,2,3)(H2,4,5,6)
InChIKeyPNLHIDSMPHCWAW-UHFFFAOYSA-N
XLogP-3.69
TPSA154.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-3.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxyethylazanium;phosphonatoformamide?
The IUPAC name of hydron;2-hydroxyethylazanium;phosphonatoformamide (CID 21391394) is hydron;2-hydroxyethylazanium;phosphonatoformamide.
What is the SMILES notation for hydron;2-hydroxyethylazanium;phosphonatoformamide?
The canonical SMILES for hydron;2-hydroxyethylazanium;phosphonatoformamide is NC(=O)P(=O)([O-])[O-].[H+].[NH3+]CCO.
What is the InChIKey of hydron;2-hydroxyethylazanium;phosphonatoformamide?
The InChIKey is PNLHIDSMPHCWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.CH4NO4P/c3-1-2-4;2-1(3)7(4,5)6/h4H,1-3H2;(H2,2,3)(H2,4,5,6).
What are the key properties of hydron;2-hydroxyethylazanium;phosphonatoformamide?
hydron;2-hydroxyethylazanium;phosphonatoformamide has a molecular weight of 186.10 g/mol, XLogP of -3.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-hydroxyethylazanium;phosphonatoformamide is sourced from PubChem (CID 21391394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).