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

C11H21N3O3 — CID 55132337

IUPAC2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
SMILESCCC(CC)(C(=O)N1CCC(O)C1)/C(N)=N/O
InChIInChI=1S/C11H21N3O3/c1-3-11(4-2,9(12)13-17)10(16)14-6-5-8(15)7-14/h8,15,17H,3-7H2,1-2H3,(H2,12,13)
InChIKeyUSHJQSFVSHZVRC-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.13
Rot. Bonds4

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

2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide (PubChem CID 55132337) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
PubChem CID55132337
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide
SMILESCCC(CC)(C(=O)N1CCC(O)C1)/C(N)=N/O
InChIInChI=1S/C11H21N3O3/c1-3-11(4-2,9(12)13-17)10(16)14-6-5-8(15)7-14/h8,15,17H,3-7H2,1-2H3,(H2,12,13)
InChIKeyUSHJQSFVSHZVRC-UHFFFAOYSA-N
XLogP0.13
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.13
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 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide (CID 55132337) is 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide is CCC(CC)(C(=O)N1CCC(O)C1)/C(N)=N/O.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
The InChIKey is USHJQSFVSHZVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-11(4-2,9(12)13-17)10(16)14-6-5-8(15)7-14/h8,15,17H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide?
2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide has a molecular weight of 243.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-(3-hydroxypyrrolidine-1-carbonyl)butanimidamide is sourced from PubChem (CID 55132337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).