2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide

C8H17N3O3 — CID 106669742

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CC(O)C(O)C1
InChIInChI=1S/C8H17N3O3/c1-2-5(8(9)10-14)11-3-6(12)7(13)4-11/h5-7,12-14H,2-4H2,1H3,(H2,9,10)
InChIKeyZIFNGOSGKNMXDR-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.45
Rot. Bonds3

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide (PubChem CID 106669742) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
PubChem CID106669742
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CC(O)C(O)C1
InChIInChI=1S/C8H17N3O3/c1-2-5(8(9)10-14)11-3-6(12)7(13)4-11/h5-7,12-14H,2-4H2,1H3,(H2,9,10)
InChIKeyZIFNGOSGKNMXDR-UHFFFAOYSA-N
XLogP-1.45
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide (CID 106669742) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide is CCC(C(N)=NO)N1CC(O)C(O)C1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is ZIFNGOSGKNMXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-2-5(8(9)10-14)11-3-6(12)7(13)4-11/h5-7,12-14H,2-4H2,1H3,(H2,9,10).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 203.24 g/mol, XLogP of -1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 106669742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).