N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide

C9H17N3O3 — CID 76981285

IUPACN'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCC(O)C1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-2-7(8(10)11-15)9(14)12-4-3-6(13)5-12/h6-7,13,15H,2-5H2,1H3,(H2,10,11)
InChIKeyUTLDARRHUFSGJB-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.65
Rot. Bonds3

About N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide

N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide (PubChem CID 76981285) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
PubChem CID76981285
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
SMILESCCC(C(=O)N1CCC(O)C1)C(N)=NO
InChIInChI=1S/C9H17N3O3/c1-2-7(8(10)11-15)9(14)12-4-3-6(13)5-12/h6-7,13,15H,2-5H2,1H3,(H2,10,11)
InChIKeyUTLDARRHUFSGJB-UHFFFAOYSA-N
XLogP-0.65
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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'}

Analyze N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide (CID 76981285) is N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide is CCC(C(=O)N1CCC(O)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
The InChIKey is UTLDARRHUFSGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-7(8(10)11-15)9(14)12-4-3-6(13)5-12/h6-7,13,15H,2-5H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide has a molecular weight of 215.25 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide is sourced from PubChem (CID 76981285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).