2-aminoethanol;pyrrolidine;sulfuric acid

C6H18N2O5S — CID 174618888

IUPAC2-aminoethanol;pyrrolidine;sulfuric acid
SMILESC1CCNC1.NCCO.O=S(=O)(O)O
InChIInChI=1S/C4H9N.C2H7NO.H2O4S/c1-2-4-5-3-1;3-1-2-4;1-5(2,3)4/h5H,1-4H2;4H,1-3H2;(H2,1,2,3,4)
InChIKeyRGFKTKQJKSTRHV-UHFFFAOYSA-N
MW230.29 g/mol
LogP-1.35
Rot. Bonds1

About 2-aminoethanol;pyrrolidine;sulfuric acid

2-aminoethanol;pyrrolidine;sulfuric acid (PubChem CID 174618888) has the molecular formula C6H18N2O5S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-aminoethanol;pyrrolidine;sulfuric acid.

Molecular Properties

Compound Name2-aminoethanol;pyrrolidine;sulfuric acid
PubChem CID174618888
Molecular FormulaC6H18N2O5S
Molecular Weight230.29 g/mol
Exact Mass230.09
IUPAC Name2-aminoethanol;pyrrolidine;sulfuric acid
SMILESC1CCNC1.NCCO.O=S(=O)(O)O
InChIInChI=1S/C4H9N.C2H7NO.H2O4S/c1-2-4-5-3-1;3-1-2-4;1-5(2,3)4/h5H,1-4H2;4H,1-3H2;(H2,1,2,3,4)
InChIKeyRGFKTKQJKSTRHV-UHFFFAOYSA-N
XLogP-1.35
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
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-aminoethanol;pyrrolidine;sulfuric acid?
The IUPAC name of 2-aminoethanol;pyrrolidine;sulfuric acid (CID 174618888) is 2-aminoethanol;pyrrolidine;sulfuric acid.
What is the SMILES notation for 2-aminoethanol;pyrrolidine;sulfuric acid?
The canonical SMILES for 2-aminoethanol;pyrrolidine;sulfuric acid is C1CCNC1.NCCO.O=S(=O)(O)O.
What is the InChIKey of 2-aminoethanol;pyrrolidine;sulfuric acid?
The InChIKey is RGFKTKQJKSTRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2H7NO.H2O4S/c1-2-4-5-3-1;3-1-2-4;1-5(2,3)4/h5H,1-4H2;4H,1-3H2;(H2,1,2,3,4).
What are the key properties of 2-aminoethanol;pyrrolidine;sulfuric acid?
2-aminoethanol;pyrrolidine;sulfuric acid has a molecular weight of 230.29 g/mol, XLogP of -1.35, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;pyrrolidine;sulfuric acid is sourced from PubChem (CID 174618888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).