4-cyclobutyl-2-hydroxy-3-methylbutanamide

C9H17NO2 — CID 58799614

IUPAC4-cyclobutyl-2-hydroxy-3-methylbutanamide
SMILESCC(CC1CCC1)C(O)C(N)=O
InChIInChI=1S/C9H17NO2/c1-6(8(11)9(10)12)5-7-3-2-4-7/h6-8,11H,2-5H2,1H3,(H2,10,12)
InChIKeyZQPDBWMJMYJSQY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.66
Rot. Bonds4

About 4-cyclobutyl-2-hydroxy-3-methylbutanamide

4-cyclobutyl-2-hydroxy-3-methylbutanamide (PubChem CID 58799614) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-cyclobutyl-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name4-cyclobutyl-2-hydroxy-3-methylbutanamide
PubChem CID58799614
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-cyclobutyl-2-hydroxy-3-methylbutanamide
SMILESCC(CC1CCC1)C(O)C(N)=O
InChIInChI=1S/C9H17NO2/c1-6(8(11)9(10)12)5-7-3-2-4-7/h6-8,11H,2-5H2,1H3,(H2,10,12)
InChIKeyZQPDBWMJMYJSQY-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-cyclobutyl-2-hydroxy-3-methylbutanamide 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 4-cyclobutyl-2-hydroxy-3-methylbutanamide?
The IUPAC name of 4-cyclobutyl-2-hydroxy-3-methylbutanamide (CID 58799614) is 4-cyclobutyl-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for 4-cyclobutyl-2-hydroxy-3-methylbutanamide?
The canonical SMILES for 4-cyclobutyl-2-hydroxy-3-methylbutanamide is CC(CC1CCC1)C(O)C(N)=O.
What is the InChIKey of 4-cyclobutyl-2-hydroxy-3-methylbutanamide?
The InChIKey is ZQPDBWMJMYJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(8(11)9(10)12)5-7-3-2-4-7/h6-8,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 4-cyclobutyl-2-hydroxy-3-methylbutanamide?
4-cyclobutyl-2-hydroxy-3-methylbutanamide has a molecular weight of 171.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 58799614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).