aminophosphonic acid;N-methoxyethanamine

C3H13N2O4P — CID 22609101

IUPACaminophosphonic acid;N-methoxyethanamine
SMILESCCNOC.NP(=O)(O)O
InChIInChI=1S/C3H9NO.H4NO3P/c1-3-4-5-2;1-5(2,3)4/h4H,3H2,1-2H3;(H4,1,2,3,4)
InChIKeyWPLLCLUHRGGHGA-UHFFFAOYSA-N
MW172.12 g/mol
LogP-0.80
Rot. Bonds2

About aminophosphonic acid;N-methoxyethanamine

aminophosphonic acid;N-methoxyethanamine (PubChem CID 22609101) has the molecular formula C3H13N2O4P and a molecular weight of 172.12 g/mol. Its IUPAC name is aminophosphonic acid;N-methoxyethanamine.

Molecular Properties

Compound Nameaminophosphonic acid;N-methoxyethanamine
PubChem CID22609101
Molecular FormulaC3H13N2O4P
Molecular Weight172.12 g/mol
Exact Mass172.06
IUPAC Nameaminophosphonic acid;N-methoxyethanamine
SMILESCCNOC.NP(=O)(O)O
InChIInChI=1S/C3H9NO.H4NO3P/c1-3-4-5-2;1-5(2,3)4/h4H,3H2,1-2H3;(H4,1,2,3,4)
InChIKeyWPLLCLUHRGGHGA-UHFFFAOYSA-N
XLogP-0.80
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 aminophosphonic acid;N-methoxyethanamine?
The IUPAC name of aminophosphonic acid;N-methoxyethanamine (CID 22609101) is aminophosphonic acid;N-methoxyethanamine.
What is the SMILES notation for aminophosphonic acid;N-methoxyethanamine?
The canonical SMILES for aminophosphonic acid;N-methoxyethanamine is CCNOC.NP(=O)(O)O.
What is the InChIKey of aminophosphonic acid;N-methoxyethanamine?
The InChIKey is WPLLCLUHRGGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.H4NO3P/c1-3-4-5-2;1-5(2,3)4/h4H,3H2,1-2H3;(H4,1,2,3,4).
What are the key properties of aminophosphonic acid;N-methoxyethanamine?
aminophosphonic acid;N-methoxyethanamine has a molecular weight of 172.12 g/mol, XLogP of -0.80, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonic acid;N-methoxyethanamine is sourced from PubChem (CID 22609101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).