potassium 2-(phosphonomethylamino)acetate

C3H7KNO5P — CID 23673029

IUPACpotassium 2-(phosphonomethylamino)acetate
SMILESO=C([O-])CNCP(=O)(O)O.[K+]
InChIInChI=1S/C3H8NO5P.K/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1
InChIKeyLIOPHZNMBKHGAV-UHFFFAOYSA-M
MW207.16 g/mol
LogP-5.53
Rot. Bonds4

About potassium 2-(phosphonomethylamino)acetate

potassium 2-(phosphonomethylamino)acetate (PubChem CID 23673029) has the molecular formula C3H7KNO5P and a molecular weight of 207.16 g/mol. Its IUPAC name is potassium 2-(phosphonomethylamino)acetate.

Molecular Properties

Compound Namepotassium 2-(phosphonomethylamino)acetate
PubChem CID23673029
Molecular FormulaC3H7KNO5P
Molecular Weight207.16 g/mol
Exact Mass206.97
IUPAC Namepotassium 2-(phosphonomethylamino)acetate
SMILESO=C([O-])CNCP(=O)(O)O.[K+]
InChIInChI=1S/C3H8NO5P.K/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1
InChIKeyLIOPHZNMBKHGAV-UHFFFAOYSA-M
XLogP-5.53
TPSA109.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-5.53
H-Bond Donors ≤ 53
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 potassium 2-(phosphonomethylamino)acetate?
The IUPAC name of potassium 2-(phosphonomethylamino)acetate (CID 23673029) is potassium 2-(phosphonomethylamino)acetate.
What is the SMILES notation for potassium 2-(phosphonomethylamino)acetate?
The canonical SMILES for potassium 2-(phosphonomethylamino)acetate is O=C([O-])CNCP(=O)(O)O.[K+].
What is the InChIKey of potassium 2-(phosphonomethylamino)acetate?
The InChIKey is LIOPHZNMBKHGAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8NO5P.K/c5-3(6)1-4-2-10(7,8)9;/h4H,1-2H2,(H,5,6)(H2,7,8,9);/q;+1/p-1.
What are the key properties of potassium 2-(phosphonomethylamino)acetate?
potassium 2-(phosphonomethylamino)acetate has a molecular weight of 207.16 g/mol, XLogP of -5.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(phosphonomethylamino)acetate is sourced from PubChem (CID 23673029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).