N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide

C10H21N3O2 — CID 77061779

IUPACN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN1CCC(O)C1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-10(2,9(11)12-15)4-6-13-5-3-8(14)7-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLDWQIQMYNXJNPT-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.22
Rot. Bonds4

About N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide

N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide (PubChem CID 77061779) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
PubChem CID77061779
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN1CCC(O)C1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-10(2,9(11)12-15)4-6-13-5-3-8(14)7-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLDWQIQMYNXJNPT-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide (CID 77061779) is N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide is CC(C)(CCN1CCC(O)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
The InChIKey is LDWQIQMYNXJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-10(2,9(11)12-15)4-6-13-5-3-8(14)7-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide?
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).