dipotassium;2-aminoacetic acid;sulfate

C2H5K2NO6S — CID 174548902

IUPACdipotassium;2-aminoacetic acid;sulfate
SMILESNCC(=O)O.O=S(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C2H5NO2.2K.H2O4S/c3-1-2(4)5;;;1-5(2,3)4/h1,3H2,(H,4,5);;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyFWPYGABWVCYWIB-UHFFFAOYSA-L
MW249.33 g/mol
LogP-8.30
Rot. Bonds1

About dipotassium;2-aminoacetic acid;sulfate

dipotassium;2-aminoacetic acid;sulfate (PubChem CID 174548902) has the molecular formula C2H5K2NO6S and a molecular weight of 249.33 g/mol. Its IUPAC name is dipotassium;2-aminoacetic acid;sulfate.

Molecular Properties

Compound Namedipotassium;2-aminoacetic acid;sulfate
PubChem CID174548902
Molecular FormulaC2H5K2NO6S
Molecular Weight249.33 g/mol
Exact Mass248.91
IUPAC Namedipotassium;2-aminoacetic acid;sulfate
SMILESNCC(=O)O.O=S(=O)([O-])[O-].[K+].[K+]
InChIInChI=1S/C2H5NO2.2K.H2O4S/c3-1-2(4)5;;;1-5(2,3)4/h1,3H2,(H,4,5);;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyFWPYGABWVCYWIB-UHFFFAOYSA-L
XLogP-8.30
TPSA143.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-8.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

tris(2-aminoacetic acid);titanium(4+);disulfate
CID 175552508
copper;2-aminoacetic acid;dichlorocopper;sulfate
CID 174826153
2-aminoacetic acid;azane;sulfuric acid
CID 173374515
2-aminoacetic acid;iron;sulfuric acid
CID 87224971
2-aminoacetic acid;cadmium
CID 87269769
bis(2-aminoacetic acid);copper
CID 50912486
(2-aminoacetic acid);carbonic acid
CID 173312624
silver;2-aminoacetic acid;nitrate
CID 87629073
2-aminoacetic acid;copper;sulfuric acid;hydrochloride
CID 174826155
2-aminoacetic acid;molecular hydrogen
CID 173030336
sodium;2-aminoacetic acid;bromide
CID 174820906
2-aminoacetic acid;oxocopper
CID 158791680

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-aminoacetic acid;sulfate?
The IUPAC name of dipotassium;2-aminoacetic acid;sulfate (CID 174548902) is dipotassium;2-aminoacetic acid;sulfate.
What is the SMILES notation for dipotassium;2-aminoacetic acid;sulfate?
The canonical SMILES for dipotassium;2-aminoacetic acid;sulfate is NCC(=O)O.O=S(=O)([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-aminoacetic acid;sulfate?
The InChIKey is FWPYGABWVCYWIB-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5NO2.2K.H2O4S/c3-1-2(4)5;;;1-5(2,3)4/h1,3H2,(H,4,5);;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dipotassium;2-aminoacetic acid;sulfate?
dipotassium;2-aminoacetic acid;sulfate has a molecular weight of 249.33 g/mol, XLogP of -8.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-aminoacetic acid;sulfate is sourced from PubChem (CID 174548902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).