4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide

C8H17N3O2 — CID 106669811

IUPAC4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CC(O)C(O)C1
InChIInChI=1S/C8H17N3O2/c9-8(10)2-1-3-11-4-6(12)7(13)5-11/h6-7,12-13H,1-5H2,(H3,9,10)
InChIKeyIOTOOTLTWFEXAB-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.26
Rot. Bonds4

About 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide

4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide (PubChem CID 106669811) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide
PubChem CID106669811
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CC(O)C(O)C1
InChIInChI=1S/C8H17N3O2/c9-8(10)2-1-3-11-4-6(12)7(13)5-11/h6-7,12-13H,1-5H2,(H3,9,10)
InChIKeyIOTOOTLTWFEXAB-UHFFFAOYSA-N
XLogP-1.26
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-Dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 106669815
2-Methyl-1-propanimidoylpyrrolidine-3,4-diol
CID 123459270
Ethane;1-ethanimidoylpyrrolidin-3-ol
CID 145296457
1-Butanimidoylpyrrolidin-3-ol
CID 163544855
4-[(2-Hydroxy-3-methoxypropyl)-methylamino]butanimidamide
CID 61581664
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704
2-(3-Hydroxypyrrolidin-1-yl)ethanimidamide
CID 62943188
4-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943376
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
3-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943570
5-(3-Hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943761

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide?
The IUPAC name of 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide (CID 106669811) is 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide?
The canonical SMILES for 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CC(O)C(O)C1.
What is the InChIKey of 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide?
The InChIKey is IOTOOTLTWFEXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(10)2-1-3-11-4-6(12)7(13)5-11/h6-7,12-13H,1-5H2,(H3,9,10).
What are the key properties of 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide?
4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide has a molecular weight of 187.24 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxypyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 106669811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).