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

C8H17N3O3 — CID 106669731

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
SMILESNC(CCCN1CC(O)C(O)C1)=NO
InChIInChI=1S/C8H17N3O3/c9-8(10-14)2-1-3-11-4-6(12)7(13)5-11/h6-7,12-14H,1-5H2,(H2,9,10)
InChIKeyLXNYBOGQDMOCRV-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.45
Rot. Bonds4

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

4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide (PubChem CID 106669731) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
PubChem CID106669731
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide
SMILESNC(CCCN1CC(O)C(O)C1)=NO
InChIInChI=1S/C8H17N3O3/c9-8(10-14)2-1-3-11-4-6(12)7(13)5-11/h6-7,12-14H,1-5H2,(H2,9,10)
InChIKeyLXNYBOGQDMOCRV-UHFFFAOYSA-N
XLogP-1.45
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
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 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide (CID 106669731) is 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide is NC(CCCN1CC(O)C(O)C1)=NO.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is LXNYBOGQDMOCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c9-8(10-14)2-1-3-11-4-6(12)7(13)5-11/h6-7,12-14H,1-5H2,(H2,9,10).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide?
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 203.24 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 106669731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).