2-aminoacetic acid;3-aminopropane-1-sulfonic acid

C5H14N2O5S — CID 174970292

IUPAC2-aminoacetic acid;3-aminopropane-1-sulfonic acid
SMILESNCC(=O)O.NCCCS(=O)(=O)O
InChIInChI=1S/C3H9NO3S.C2H5NO2/c4-2-1-3-8(5,6)7;3-1-2(4)5/h1-4H2,(H,5,6,7);1,3H2,(H,4,5)
InChIKeyNUYNIDWQQGBQMB-UHFFFAOYSA-N
MW214.24 g/mol
LogP-1.75
Rot. Bonds4

About 2-aminoacetic acid;3-aminopropane-1-sulfonic acid

2-aminoacetic acid;3-aminopropane-1-sulfonic acid (PubChem CID 174970292) has the molecular formula C5H14N2O5S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-aminoacetic acid;3-aminopropane-1-sulfonic acid.

Molecular Properties

Compound Name2-aminoacetic acid;3-aminopropane-1-sulfonic acid
PubChem CID174970292
Molecular FormulaC5H14N2O5S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC Name2-aminoacetic acid;3-aminopropane-1-sulfonic acid
SMILESNCC(=O)O.NCCCS(=O)(=O)O
InChIInChI=1S/C3H9NO3S.C2H5NO2/c4-2-1-3-8(5,6)7;3-1-2(4)5/h1-4H2,(H,5,6,7);1,3H2,(H,4,5)
InChIKeyNUYNIDWQQGBQMB-UHFFFAOYSA-N
XLogP-1.75
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;3-aminopropane-1-sulfonic acid?
The IUPAC name of 2-aminoacetic acid;3-aminopropane-1-sulfonic acid (CID 174970292) is 2-aminoacetic acid;3-aminopropane-1-sulfonic acid.
What is the SMILES notation for 2-aminoacetic acid;3-aminopropane-1-sulfonic acid?
The canonical SMILES for 2-aminoacetic acid;3-aminopropane-1-sulfonic acid is NCC(=O)O.NCCCS(=O)(=O)O.
What is the InChIKey of 2-aminoacetic acid;3-aminopropane-1-sulfonic acid?
The InChIKey is NUYNIDWQQGBQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S.C2H5NO2/c4-2-1-3-8(5,6)7;3-1-2(4)5/h1-4H2,(H,5,6,7);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;3-aminopropane-1-sulfonic acid?
2-aminoacetic acid;3-aminopropane-1-sulfonic acid has a molecular weight of 214.24 g/mol, XLogP of -1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;3-aminopropane-1-sulfonic acid is sourced from PubChem (CID 174970292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).