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

C8H17N3O2 — CID 62941886

IUPACN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
SMILESCC(C/C(N)=N/O)N1CCC(O)C1
InChIInChI=1S/C8H17N3O2/c1-6(4-8(9)10-13)11-3-2-7(12)5-11/h6-7,12-13H,2-5H2,1H3,(H2,9,10)
InChIKeyNQITYRMBKNSKKE-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.42
Rot. Bonds3

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

N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide (PubChem CID 62941886) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
PubChem CID62941886
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide
SMILESCC(C/C(N)=N/O)N1CCC(O)C1
InChIInChI=1S/C8H17N3O2/c1-6(4-8(9)10-13)11-3-2-7(12)5-11/h6-7,12-13H,2-5H2,1H3,(H2,9,10)
InChIKeyNQITYRMBKNSKKE-UHFFFAOYSA-N
XLogP-0.42
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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-3-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 60961042
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60980113
3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 61235606
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]butanimidamide
CID 61424676
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 61446322
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62941704
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62941707
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)propanimidamide
CID 62942068
N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)butanimidamide
CID 62942069
4-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943376

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide (CID 62941886) is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide is CC(C/C(N)=N/O)N1CCC(O)C1.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide?
The InChIKey is NQITYRMBKNSKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(4-8(9)10-13)11-3-2-7(12)5-11/h6-7,12-13H,2-5H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide?
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)butanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.42, 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-hydroxypyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 62941886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).