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

C9H19N3O3 — CID 106669747

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N1CC(O)C(O)C1
InChIInChI=1S/C9H19N3O3/c1-2-6(3-9(10)11-15)12-4-7(13)8(14)5-12/h6-8,13-15H,2-5H2,1H3,(H2,10,11)
InChIKeyJCHJQQZEEORJRF-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.06
Rot. Bonds4

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

3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 106669747) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide
PubChem CID106669747
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)N1CC(O)C(O)C1
InChIInChI=1S/C9H19N3O3/c1-2-6(3-9(10)11-15)12-4-7(13)8(14)5-12/h6-8,13-15H,2-5H2,1H3,(H2,10,11)
InChIKeyJCHJQQZEEORJRF-UHFFFAOYSA-N
XLogP-1.06
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.06
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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Related Compounds

2-Methyl-1-propanimidoylpyrrolidine-3,4-diol
CID 123459270
3-[cyclopentyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 54994032
N'-hydroxy-3-[2-hydroxyethyl(pentan-3-yl)amino]pentanimidamide
CID 54994609
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]pentanimidamide
CID 60961041
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 60979982
3-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61235419
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pentanimidamide
CID 61407719
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
N'-hydroxy-3-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 61424628
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61446321
3-[(2-Hydroxy-3-methoxypropyl)-methylamino]pentanimidamide
CID 61581758
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide (CID 106669747) is 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide is CCC(CC(N)=NO)N1CC(O)C(O)C1.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is JCHJQQZEEORJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-2-6(3-9(10)11-15)12-4-7(13)8(14)5-12/h6-8,13-15H,2-5H2,1H3,(H2,10,11).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 217.27 g/mol, XLogP of -1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 106669747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).