2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide

C10H18N2O2 — CID 157267136

IUPAC2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide
SMILES[H]/N=C(\N)CC1CC(O)(C(=O)C(C)C)C1
InChIInChI=1S/C10H18N2O2/c1-6(2)9(13)10(14)4-7(5-10)3-8(11)12/h6-7,14H,3-5H2,1-2H3,(H3,11,12)
InChIKeyBKXTVSIBIIODKU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.68
Rot. Bonds4

About 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide

2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide (PubChem CID 157267136) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide.

Molecular Properties

Compound Name2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide
PubChem CID157267136
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide
SMILES[H]/N=C(\N)CC1CC(O)(C(=O)C(C)C)C1
InChIInChI=1S/C10H18N2O2/c1-6(2)9(13)10(14)4-7(5-10)3-8(11)12/h6-7,14H,3-5H2,1-2H3,(H3,11,12)
InChIKeyBKXTVSIBIIODKU-UHFFFAOYSA-N
XLogP0.68
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide 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 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide?
The IUPAC name of 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide (CID 157267136) is 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide.
What is the SMILES notation for 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide?
The canonical SMILES for 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide is [H]/N=C(\N)CC1CC(O)(C(=O)C(C)C)C1.
What is the InChIKey of 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide?
The InChIKey is BKXTVSIBIIODKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)9(13)10(14)4-7(5-10)3-8(11)12/h6-7,14H,3-5H2,1-2H3,(H3,11,12).
What are the key properties of 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide?
2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide has a molecular weight of 198.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-(2-methylpropanoyl)cyclobutyl]ethanimidamide is sourced from PubChem (CID 157267136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).