azanium 2-(phosphonomethylamino)acetate

C3H11N2O5P — CID 23424279

IUPACazanium 2-(phosphonomethylamino)acetate
SMILESO=C([O-])CNCP(=O)(O)O.[NH4+]
InChIInChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3
InChIKeyPDYXIVPKOMYDOK-UHFFFAOYSA-N
MW186.10 g/mol
LogP-2.16
Rot. Bonds4

About azanium 2-(phosphonomethylamino)acetate

azanium 2-(phosphonomethylamino)acetate (PubChem CID 23424279) has the molecular formula C3H11N2O5P and a molecular weight of 186.10 g/mol. Its IUPAC name is azanium 2-(phosphonomethylamino)acetate.

Molecular Properties

Compound Nameazanium 2-(phosphonomethylamino)acetate
PubChem CID23424279
Molecular FormulaC3H11N2O5P
Molecular Weight186.10 g/mol
Exact Mass186.04
IUPAC Nameazanium 2-(phosphonomethylamino)acetate
SMILESO=C([O-])CNCP(=O)(O)O.[NH4+]
InChIInChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3
InChIKeyPDYXIVPKOMYDOK-UHFFFAOYSA-N
XLogP-2.16
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium 2-(phosphonomethylamino)acetate?
The IUPAC name of azanium 2-(phosphonomethylamino)acetate (CID 23424279) is azanium 2-(phosphonomethylamino)acetate.
What is the SMILES notation for azanium 2-(phosphonomethylamino)acetate?
The canonical SMILES for azanium 2-(phosphonomethylamino)acetate is O=C([O-])CNCP(=O)(O)O.[NH4+].
What is the InChIKey of azanium 2-(phosphonomethylamino)acetate?
The InChIKey is PDYXIVPKOMYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.H3N/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);1H3.
What are the key properties of azanium 2-(phosphonomethylamino)acetate?
azanium 2-(phosphonomethylamino)acetate has a molecular weight of 186.10 g/mol, XLogP of -2.16, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(phosphonomethylamino)acetate is sourced from PubChem (CID 23424279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).