N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide

C9H17N3O3 — CID 76981269

IUPACN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide
SMILESCC(C)(C(=O)N1CCC(O)C1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-9(2,7(10)11-15)8(14)12-4-3-6(13)5-12/h6,13,15H,3-5H2,1-2H3,(H2,10,11)
InChIKeyVCHTUSUNFWMBHZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.65
Rot. Bonds2

About N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide

N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide (PubChem CID 76981269) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide
PubChem CID76981269
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide
SMILESCC(C)(C(=O)N1CCC(O)C1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-9(2,7(10)11-15)8(14)12-4-3-6(13)5-12/h6,13,15H,3-5H2,1-2H3,(H2,10,11)
InChIKeyVCHTUSUNFWMBHZ-UHFFFAOYSA-N
XLogP-0.65
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.65
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-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide (CID 76981269) is N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide is CC(C)(C(=O)N1CCC(O)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide?
The InChIKey is VCHTUSUNFWMBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,7(10)11-15)8(14)12-4-3-6(13)5-12/h6,13,15H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide?
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-2,2-dimethyl-3-oxopropanimidamide has a molecular weight of 215.25 g/mol, XLogP of -0.65, 2 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)-2,2-dimethyl-3-oxopropanimidamide is sourced from PubChem (CID 76981269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).