N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide

C8H17N3O2 — CID 103356324

IUPACN'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCC(C)(O)C1
InChIInChI=1S/C8H17N3O2/c1-6(7(9)10-13)11-4-3-8(2,12)5-11/h6,12-13H,3-5H2,1-2H3,(H2,9,10)
InChIKeyCERHSXUURUQCDX-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.42
Rot. Bonds2

About N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide

N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide (PubChem CID 103356324) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
PubChem CID103356324
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCC(C)(O)C1
InChIInChI=1S/C8H17N3O2/c1-6(7(9)10-13)11-4-3-8(2,12)5-11/h6,12-13H,3-5H2,1-2H3,(H2,9,10)
InChIKeyCERHSXUURUQCDX-UHFFFAOYSA-N
XLogP-0.42
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.42
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

N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62942068
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62942069
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 76981301
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 76981302
2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 77056293
2-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxypropanimidamide
CID 77056308
N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]butanimidamide
CID 77056339
N'-hydroxy-2-[(2-hydroxy-2-methylbutyl)amino]propanimidamide
CID 77056361
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybutanimidamide
CID 79376795
N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]butanimidamide
CID 79377582
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 79379101
N'-hydroxy-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
CID 79379606

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide (CID 103356324) is N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide is CC(C(N)=NO)N1CCC(C)(O)C1.
What is the InChIKey of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
The InChIKey is CERHSXUURUQCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(7(9)10-13)11-4-3-8(2,12)5-11/h6,12-13H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide?
N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 103356324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).