2-aminoacetic acid;propane-1-sulfonic acid

C5H13NO5S — CID 175490348

IUPAC2-aminoacetic acid;propane-1-sulfonic acid
SMILESCCCS(=O)(=O)O.NCC(=O)O
InChIInChI=1S/C3H8O3S.C2H5NO2/c1-2-3-7(4,5)6;3-1-2(4)5/h2-3H2,1H3,(H,4,5,6);1,3H2,(H,4,5)
InChIKeyUHCZXZICRMKBBN-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.69
Rot. Bonds3

About 2-aminoacetic acid;propane-1-sulfonic acid

2-aminoacetic acid;propane-1-sulfonic acid (PubChem CID 175490348) has the molecular formula C5H13NO5S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-aminoacetic acid;propane-1-sulfonic acid.

Molecular Properties

Compound Name2-aminoacetic acid;propane-1-sulfonic acid
PubChem CID175490348
Molecular FormulaC5H13NO5S
Molecular Weight199.23 g/mol
Exact Mass199.05
IUPAC Name2-aminoacetic acid;propane-1-sulfonic acid
SMILESCCCS(=O)(=O)O.NCC(=O)O
InChIInChI=1S/C3H8O3S.C2H5NO2/c1-2-3-7(4,5)6;3-1-2(4)5/h2-3H2,1H3,(H,4,5,6);1,3H2,(H,4,5)
InChIKeyUHCZXZICRMKBBN-UHFFFAOYSA-N
XLogP-0.69
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;propane-1-sulfonic acid?
The IUPAC name of 2-aminoacetic acid;propane-1-sulfonic acid (CID 175490348) is 2-aminoacetic acid;propane-1-sulfonic acid.
What is the SMILES notation for 2-aminoacetic acid;propane-1-sulfonic acid?
The canonical SMILES for 2-aminoacetic acid;propane-1-sulfonic acid is CCCS(=O)(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;propane-1-sulfonic acid?
The InChIKey is UHCZXZICRMKBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S.C2H5NO2/c1-2-3-7(4,5)6;3-1-2(4)5/h2-3H2,1H3,(H,4,5,6);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;propane-1-sulfonic acid?
2-aminoacetic acid;propane-1-sulfonic acid has a molecular weight of 199.23 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;propane-1-sulfonic acid is sourced from PubChem (CID 175490348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).