2-aminoacetic acid;azane;sulfuric acid

C2H16N4O6S — CID 173374515

IUPAC2-aminoacetic acid;azane;sulfuric acid
SMILESN.N.N.NCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C2H5NO2.3H3N.H2O4S/c3-1-2(4)5;;;;1-5(2,3)4/h1,3H2,(H,4,5);3*1H3;(H2,1,2,3,4)
InChIKeyVVFBZAVIXAIUSB-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.14
Rot. Bonds1

About 2-aminoacetic acid;azane;sulfuric acid

2-aminoacetic acid;azane;sulfuric acid (PubChem CID 173374515) has the molecular formula C2H16N4O6S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-aminoacetic acid;azane;sulfuric acid.

Molecular Properties

Compound Name2-aminoacetic acid;azane;sulfuric acid
PubChem CID173374515
Molecular FormulaC2H16N4O6S
Molecular Weight224.24 g/mol
Exact Mass224.08
IUPAC Name2-aminoacetic acid;azane;sulfuric acid
SMILESN.N.N.NCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C2H5NO2.3H3N.H2O4S/c3-1-2(4)5;;;;1-5(2,3)4/h1,3H2,(H,4,5);3*1H3;(H2,1,2,3,4)
InChIKeyVVFBZAVIXAIUSB-UHFFFAOYSA-N
XLogP-1.14
TPSA242.92 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;iron;sulfuric acid
CID 87224971
2-aminoacetic acid;copper;sulfuric acid;hydrochloride
CID 174826155
tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid
CID 21441171
2-aminoacetic acid;azane;ethene
CID 174860038
2-aminoacetic acid;cadmium
CID 87269769
bis(2-aminoacetic acid);copper
CID 50912486
(2-aminoacetic acid);carbonic acid
CID 173312624
dipotassium;2-aminoacetic acid;sulfate
CID 174548902
tris(2-aminoacetic acid);titanium(4+);disulfate
CID 175552508
acetic acid;2-aminoacetic acid;azane
CID 175048501
3-amino-3-oxopropanoic acid;sulfuric acid
CID 71430427
2-aminoacetic acid;iron;nickel
CID 175589238

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;azane;sulfuric acid?
The IUPAC name of 2-aminoacetic acid;azane;sulfuric acid (CID 173374515) is 2-aminoacetic acid;azane;sulfuric acid.
What is the SMILES notation for 2-aminoacetic acid;azane;sulfuric acid?
The canonical SMILES for 2-aminoacetic acid;azane;sulfuric acid is N.N.N.NCC(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-aminoacetic acid;azane;sulfuric acid?
The InChIKey is VVFBZAVIXAIUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.3H3N.H2O4S/c3-1-2(4)5;;;;1-5(2,3)4/h1,3H2,(H,4,5);3*1H3;(H2,1,2,3,4).
What are the key properties of 2-aminoacetic acid;azane;sulfuric acid?
2-aminoacetic acid;azane;sulfuric acid has a molecular weight of 224.24 g/mol, XLogP of -1.14, 1 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;azane;sulfuric acid is sourced from PubChem (CID 173374515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).