2-aminoacetic acid;iron;sulfuric acid

C2H7FeNO6S — CID 87224971

IUPAC2-aminoacetic acid;iron;sulfuric acid
SMILESNCC(=O)O.O=S(=O)(O)O.[Fe]
InChIInChI=1S/C2H5NO2.Fe.H2O4S/c3-1-2(4)5;;1-5(2,3)4/h1,3H2,(H,4,5);;(H2,1,2,3,4)
InChIKeyVGJMNGSYOMPMCU-UHFFFAOYSA-N
MW228.99 g/mol
LogP-1.63
Rot. Bonds1

About 2-aminoacetic acid;iron;sulfuric acid

2-aminoacetic acid;iron;sulfuric acid (PubChem CID 87224971) has the molecular formula C2H7FeNO6S and a molecular weight of 228.99 g/mol. Its IUPAC name is 2-aminoacetic acid;iron;sulfuric acid.

Molecular Properties

Compound Name2-aminoacetic acid;iron;sulfuric acid
PubChem CID87224971
Molecular FormulaC2H7FeNO6S
Molecular Weight228.99 g/mol
Exact Mass228.93
IUPAC Name2-aminoacetic acid;iron;sulfuric acid
SMILESNCC(=O)O.O=S(=O)(O)O.[Fe]
InChIInChI=1S/C2H5NO2.Fe.H2O4S/c3-1-2(4)5;;1-5(2,3)4/h1,3H2,(H,4,5);;(H2,1,2,3,4)
InChIKeyVGJMNGSYOMPMCU-UHFFFAOYSA-N
XLogP-1.63
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.99
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;azane;sulfuric acid
CID 173374515
2-aminoacetic acid;copper;sulfuric acid;hydrochloride
CID 174826155
2-aminoacetic acid;iron;nickel
CID 175589238
tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid
CID 21441171
bis(2-aminoacetic acid);copper
CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624
dipotassium;2-aminoacetic acid;sulfate
CID 174548902
tris(2-aminoacetic acid);titanium(4+);disulfate
CID 175552508
3-amino-3-oxopropanoic acid;sulfuric acid
CID 71430427
2-aminoacetic acid;molecular hydrogen
CID 173030336
sodium;2-aminoacetic acid;bromide
CID 174820906

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;iron;sulfuric acid?
The IUPAC name of 2-aminoacetic acid;iron;sulfuric acid (CID 87224971) is 2-aminoacetic acid;iron;sulfuric acid.
What is the SMILES notation for 2-aminoacetic acid;iron;sulfuric acid?
The canonical SMILES for 2-aminoacetic acid;iron;sulfuric acid is NCC(=O)O.O=S(=O)(O)O.[Fe].
What is the InChIKey of 2-aminoacetic acid;iron;sulfuric acid?
The InChIKey is VGJMNGSYOMPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.Fe.H2O4S/c3-1-2(4)5;;1-5(2,3)4/h1,3H2,(H,4,5);;(H2,1,2,3,4).
What are the key properties of 2-aminoacetic acid;iron;sulfuric acid?
2-aminoacetic acid;iron;sulfuric acid has a molecular weight of 228.99 g/mol, XLogP of -1.63, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;iron;sulfuric acid is sourced from PubChem (CID 87224971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).