3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid

C5H13N3O5S — CID 44558333

IUPAC3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N1CCC(O)C1
InChIInChI=1S/C5H11N3O.H2O4S/c6-5(7)8-2-1-4(9)3-8;1-5(2,3)4/h4,9H,1-3H2,(H3,6,7);(H2,1,2,3,4)
InChIKeyQPRWINJOTBLPTM-UHFFFAOYSA-N
MW227.24 g/mol
LogP-1.71
Rot. Bonds

About 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid

3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid (PubChem CID 44558333) has the molecular formula C5H13N3O5S and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid.

Molecular Properties

Compound Name3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid
PubChem CID44558333
Molecular FormulaC5H13N3O5S
Molecular Weight227.24 g/mol
Exact Mass227.06
IUPAC Name3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(\N)N1CCC(O)C1
InChIInChI=1S/C5H11N3O.H2O4S/c6-5(7)8-2-1-4(9)3-8;1-5(2,3)4/h4,9H,1-3H2,(H3,6,7);(H2,1,2,3,4)
InChIKeyQPRWINJOTBLPTM-UHFFFAOYSA-N
XLogP-1.71
TPSA147.94 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-1.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid?
The IUPAC name of 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid (CID 44558333) is 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid.
What is the SMILES notation for 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid?
The canonical SMILES for 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid is O=S(=O)(O)O.[H]/N=C(\N)N1CCC(O)C1.
What is the InChIKey of 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid?
The InChIKey is QPRWINJOTBLPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.H2O4S/c6-5(7)8-2-1-4(9)3-8;1-5(2,3)4/h4,9H,1-3H2,(H3,6,7);(H2,1,2,3,4).
What are the key properties of 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid?
3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid has a molecular weight of 227.24 g/mol, XLogP of -1.71, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyrrolidine-1-carboximidamide;sulfuric acid is sourced from PubChem (CID 44558333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).