3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide

C10H19N3O — CID 170385788

IUPAC3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide
SMILES[H]/N=C(\C)N1CC(C(N)=O)(C(C)(C)C)C1
InChIInChI=1S/C10H19N3O/c1-7(11)13-5-10(6-13,8(12)14)9(2,3)4/h11H,5-6H2,1-4H3,(H2,12,14)/b11-7+
InChIKeyDLTTYMJQMKSQME-YRNVUSSQSA-N
MW197.28 g/mol
LogP0.82
Rot. Bonds1

About 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide

3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide (PubChem CID 170385788) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide
PubChem CID170385788
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide
SMILES[H]/N=C(\C)N1CC(C(N)=O)(C(C)(C)C)C1
InChIInChI=1S/C10H19N3O/c1-7(11)13-5-10(6-13,8(12)14)9(2,3)4/h11H,5-6H2,1-4H3,(H2,12,14)/b11-7+
InChIKeyDLTTYMJQMKSQME-YRNVUSSQSA-N
XLogP0.82
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide?
The IUPAC name of 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide (CID 170385788) is 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide?
The canonical SMILES for 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide is [H]/N=C(\C)N1CC(C(N)=O)(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide?
The InChIKey is DLTTYMJQMKSQME-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(11)13-5-10(6-13,8(12)14)9(2,3)4/h11H,5-6H2,1-4H3,(H2,12,14)/b11-7+.
What are the key properties of 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide?
3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethanimidoylazetidine-3-carboxamide is sourced from PubChem (CID 170385788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).