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

C9H19N3O2 — CID 106669793

IUPAC3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CC(O)C(O)C1
InChIInChI=1S/C9H19N3O2/c1-2-6(3-9(10)11)12-4-7(13)8(14)5-12/h6-8,13-14H,2-5H2,1H3,(H3,10,11)
InChIKeyKSRLOCFJCBOSRZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.87
Rot. Bonds4

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

3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide (PubChem CID 106669793) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
PubChem CID106669793
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CC(O)C(O)C1
InChIInChI=1S/C9H19N3O2/c1-2-6(3-9(10)11)12-4-7(13)8(14)5-12/h6-8,13-14H,2-5H2,1H3,(H3,10,11)
InChIKeyKSRLOCFJCBOSRZ-UHFFFAOYSA-N
XLogP-0.87
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.87
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

3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678826
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
CID 66392705
3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
CID 63163878
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanimidamide
CID 43620437
3-(4-propylpiperazin-1-yl)pentanimidamide
CID 43368022
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556
3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide
CID 63170287
3-(4-piperidin-1-ylpiperidin-1-yl)pentanimidamide
CID 61242438
3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 62974857
3-(4-ethyl-4-methylpiperidin-1-yl)pentanimidamide
CID 63158707
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pentanimidamide
CID 102726631

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide?
The IUPAC name of 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide (CID 106669793) is 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide?
The canonical SMILES for 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CC(O)C(O)C1.
What is the InChIKey of 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide?
The InChIKey is KSRLOCFJCBOSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-6(3-9(10)11)12-4-7(13)8(14)5-12/h6-8,13-14H,2-5H2,1H3,(H3,10,11).
What are the key properties of 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide?
3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide is sourced from PubChem (CID 106669793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).