potassium 2-aminooxyacetate

C2H4KNO3 — CID 167313621

IUPACpotassium 2-aminooxyacetate
SMILESNOCC(=O)[O-].[K+]
InChIInChI=1S/C2H5NO3.K/c3-6-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1
InChIKeyDCPKVSJHMQHZQA-UHFFFAOYSA-M
MW129.16 g/mol
LogP-5.37
Rot. Bonds2

About potassium 2-aminooxyacetate

potassium 2-aminooxyacetate (PubChem CID 167313621) has the molecular formula C2H4KNO3 and a molecular weight of 129.16 g/mol. Its IUPAC name is potassium 2-aminooxyacetate.

Molecular Properties

Compound Namepotassium 2-aminooxyacetate
PubChem CID167313621
Molecular FormulaC2H4KNO3
Molecular Weight129.16 g/mol
Exact Mass128.98
IUPAC Namepotassium 2-aminooxyacetate
SMILESNOCC(=O)[O-].[K+]
InChIInChI=1S/C2H5NO3.K/c3-6-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1
InChIKeyDCPKVSJHMQHZQA-UHFFFAOYSA-M
XLogP-5.37
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-5.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

magnesium 2-(carboxylatomethoxy)acetate
CID 158181125
1-aminooxypropan-2-one
CID 20700160
barium(2+);bis(2-methoxyacetate)
CID 88657250
2-(2,2,2-trifluoroacetyl)oxyacetate
CID 140610089
carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)
CID 10448493
2-methanidyloxyacetate;methanolate
CID 90717089
dipotassium bis(2-hydroxyacetate)
CID 140653272
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 23086951
2-aminooxy-N-sulfanylacetamide
CID 129060609
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337
1-aminooxypropan-2-one;1-aminopropan-2-one
CID 158191453
2-(2-hydroxyethoxy)acetate
CID 22628635

Frequently Asked Questions

What is the IUPAC name of potassium 2-aminooxyacetate?
The IUPAC name of potassium 2-aminooxyacetate (CID 167313621) is potassium 2-aminooxyacetate.
What is the SMILES notation for potassium 2-aminooxyacetate?
The canonical SMILES for potassium 2-aminooxyacetate is NOCC(=O)[O-].[K+].
What is the InChIKey of potassium 2-aminooxyacetate?
The InChIKey is DCPKVSJHMQHZQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO3.K/c3-6-1-2(4)5;/h1,3H2,(H,4,5);/q;+1/p-1.
What are the key properties of potassium 2-aminooxyacetate?
potassium 2-aminooxyacetate has a molecular weight of 129.16 g/mol, XLogP of -5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-aminooxyacetate is sourced from PubChem (CID 167313621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).