4-hydroxypyrrolidine-2-carboximidamide

C5H11N3O — CID 174765523

IUPAC4-hydroxypyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CC(O)CN1
InChIInChI=1S/C5H11N3O/c6-5(7)4-1-3(9)2-8-4/h3-4,8-9H,1-2H2,(H3,6,7)
InChIKeyBVGKORRBJNRFFT-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.35
Rot. Bonds1

About 4-hydroxypyrrolidine-2-carboximidamide

4-hydroxypyrrolidine-2-carboximidamide (PubChem CID 174765523) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name4-hydroxypyrrolidine-2-carboximidamide
PubChem CID174765523
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4-hydroxypyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CC(O)CN1
InChIInChI=1S/C5H11N3O/c6-5(7)4-1-3(9)2-8-4/h3-4,8-9H,1-2H2,(H3,6,7)
InChIKeyBVGKORRBJNRFFT-UHFFFAOYSA-N
XLogP-1.35
TPSA82.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 4-hydroxypyrrolidine-2-carboximidamide (CID 174765523) is 4-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 4-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 4-hydroxypyrrolidine-2-carboximidamide is [H]/N=C(\N)C1CC(O)CN1.
What is the InChIKey of 4-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is BVGKORRBJNRFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-5(7)4-1-3(9)2-8-4/h3-4,8-9H,1-2H2,(H3,6,7).
What are the key properties of 4-hydroxypyrrolidine-2-carboximidamide?
4-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 129.16 g/mol, XLogP of -1.35, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 174765523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).