2-(phosphonatomethylazaniumyl)acetate

C3H6NO5P-2 — CID 24916970

IUPAC2-(phosphonatomethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]CP(=O)([O-])[O-]
InChIInChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-2
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-L
MW167.06 g/mol
LogP-4.83
Rot. Bonds4

About 2-(phosphonatomethylazaniumyl)acetate

2-(phosphonatomethylazaniumyl)acetate (PubChem CID 24916970) has the molecular formula C3H6NO5P-2 and a molecular weight of 167.06 g/mol. Its IUPAC name is 2-(phosphonatomethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(phosphonatomethylazaniumyl)acetate
PubChem CID24916970
Molecular FormulaC3H6NO5P-2
Molecular Weight167.06 g/mol
Exact Mass167.00
IUPAC Name2-(phosphonatomethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]CP(=O)([O-])[O-]
InChIInChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-2
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-L
XLogP-4.83
TPSA119.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.06
LogP ≤ 5-4.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Glyphosate
CID 3496
Glyphosate-monoammonium
CID 11615303
glyphosate dimethylamine salt
CID 13208144
Glyphosate potassium
CID 23716553
Glyphosate-diammonium
CID 44146828
CID 59310676
CID 59310676
Glyphosate(2-)
CID 25203640
N-(Phosphonomethyl)glycine--hydrogen chloride (1/1)
CID 23182961
Glycine, N-(phosphonomethyl)-potassium salt
CID 23673029
N-(Phosphonomethyl)(13C2,15N)glycine
CID 46780452
Glyphosate-13C
CID 71310323
Carboxymethyl(phosphonomethyl)azanium
CID 5288464

Frequently Asked Questions

What is the IUPAC name of 2-(phosphonatomethylazaniumyl)acetate?
The IUPAC name of 2-(phosphonatomethylazaniumyl)acetate (CID 24916970) is 2-(phosphonatomethylazaniumyl)acetate.
What is the SMILES notation for 2-(phosphonatomethylazaniumyl)acetate?
The canonical SMILES for 2-(phosphonatomethylazaniumyl)acetate is O=C([O-])C[NH2+]CP(=O)([O-])[O-].
What is the InChIKey of 2-(phosphonatomethylazaniumyl)acetate?
The InChIKey is XDDAORKBJWWYJS-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p-2.
What are the key properties of 2-(phosphonatomethylazaniumyl)acetate?
2-(phosphonatomethylazaniumyl)acetate has a molecular weight of 167.06 g/mol, XLogP of -4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphonatomethylazaniumyl)acetate is sourced from PubChem (CID 24916970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).