2-aminoacetic acid;2-aminoethanesulfonic acid

C4H12N2O5S — CID 87255783

IUPAC2-aminoacetic acid;2-aminoethanesulfonic acid
SMILESNCC(=O)O.NCCS(=O)(=O)O
InChIInChI=1S/C2H7NO3S.C2H5NO2/c3-1-2-7(4,5)6;3-1-2(4)5/h1-3H2,(H,4,5,6);1,3H2,(H,4,5)
InChIKeyYLTPUZTUECUPSE-UHFFFAOYSA-N
MW200.22 g/mol
LogP-2.14
Rot. Bonds3

About 2-aminoacetic acid;2-aminoethanesulfonic acid

2-aminoacetic acid;2-aminoethanesulfonic acid (PubChem CID 87255783) has the molecular formula C4H12N2O5S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-aminoacetic acid;2-aminoethanesulfonic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-aminoethanesulfonic acid
PubChem CID87255783
Molecular FormulaC4H12N2O5S
Molecular Weight200.22 g/mol
Exact Mass200.05
IUPAC Name2-aminoacetic acid;2-aminoethanesulfonic acid
SMILESNCC(=O)O.NCCS(=O)(=O)O
InChIInChI=1S/C2H7NO3S.C2H5NO2/c3-1-2-7(4,5)6;3-1-2(4)5/h1-3H2,(H,4,5,6);1,3H2,(H,4,5)
InChIKeyYLTPUZTUECUPSE-UHFFFAOYSA-N
XLogP-2.14
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;2-aminoethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-aminoethanesulfonic acid?
The IUPAC name of 2-aminoacetic acid;2-aminoethanesulfonic acid (CID 87255783) is 2-aminoacetic acid;2-aminoethanesulfonic acid.
What is the SMILES notation for 2-aminoacetic acid;2-aminoethanesulfonic acid?
The canonical SMILES for 2-aminoacetic acid;2-aminoethanesulfonic acid is NCC(=O)O.NCCS(=O)(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-aminoethanesulfonic acid?
The InChIKey is YLTPUZTUECUPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO3S.C2H5NO2/c3-1-2-7(4,5)6;3-1-2(4)5/h1-3H2,(H,4,5,6);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-aminoethanesulfonic acid?
2-aminoacetic acid;2-aminoethanesulfonic acid has a molecular weight of 200.22 g/mol, XLogP of -2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-aminoethanesulfonic acid is sourced from PubChem (CID 87255783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).