N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide

C9H19N3O2 — CID 103356319

IUPACN'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
SMILESCC(CC(N)=NO)N1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O2/c1-7(5-8(10)11-14)12-4-3-9(2,13)6-12/h7,13-14H,3-6H2,1-2H3,(H2,10,11)
InChIKeyNXPSVKBYUHKSGP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds3

About N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide

N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide (PubChem CID 103356319) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
PubChem CID103356319
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
SMILESCC(CC(N)=NO)N1CCC(C)(O)C1
InChIInChI=1S/C9H19N3O2/c1-7(5-8(10)11-14)12-4-3-9(2,13)6-12/h7,13-14H,3-6H2,1-2H3,(H2,10,11)
InChIKeyNXPSVKBYUHKSGP-UHFFFAOYSA-N
XLogP-0.03
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370267
N'-hydroxy-3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropanimidamide
CID 112737688
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62941707
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62941886
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 76981281
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 76981282
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 76981290
N'-hydroxy-3-[(2-hydroxy-2-methylbutyl)amino]butanimidamide
CID 77056325
N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]pentanimidamide
CID 79377060
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide
CID 79379358
N'-hydroxy-3-[(2-hydroxy-2-methylpropyl)-methylamino]butanimidamide
CID 79379869
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypentanimidamide
CID 79380233

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide (CID 103356319) is N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide is CC(CC(N)=NO)N1CCC(C)(O)C1.
What is the InChIKey of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
The InChIKey is NXPSVKBYUHKSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(5-8(10)11-14)12-4-3-9(2,13)6-12/h7,13-14H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide?
N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 103356319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).