1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid

C6H13NO4S — CID 174213296

IUPAC1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid
SMILESCCN1C(O)CCC1S(=O)(=O)O
InChIInChI=1S/C6H13NO4S/c1-2-7-5(8)3-4-6(7)12(9,10)11/h5-6,8H,2-4H2,1H3,(H,9,10,11)
InChIKeyUJPWYQVZERXBAN-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.37
Rot. Bonds2

About 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid

1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid (PubChem CID 174213296) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid.

Molecular Properties

Compound Name1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid
PubChem CID174213296
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid
SMILESCCN1C(O)CCC1S(=O)(=O)O
InChIInChI=1S/C6H13NO4S/c1-2-7-5(8)3-4-6(7)12(9,10)11/h5-6,8H,2-4H2,1H3,(H,9,10,11)
InChIKeyUJPWYQVZERXBAN-UHFFFAOYSA-N
XLogP-0.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
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 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid?
The IUPAC name of 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid (CID 174213296) is 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid.
What is the SMILES notation for 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid?
The canonical SMILES for 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid is CCN1C(O)CCC1S(=O)(=O)O.
What is the InChIKey of 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid?
The InChIKey is UJPWYQVZERXBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-2-7-5(8)3-4-6(7)12(9,10)11/h5-6,8H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid?
1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid has a molecular weight of 195.24 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxypyrrolidine-2-sulfonic acid is sourced from PubChem (CID 174213296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).