4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide

C11H20N2O2 — CID 70287801

IUPAC4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CC1CCC1)C(=O)C(N)=O
InChIInChI=1S/C11H20N2O2/c1-7(2)13-9(10(14)11(12)15)6-8-4-3-5-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)
InChIKeySSBIMCQIESVNSM-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.60
Rot. Bonds6

About 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide

4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide (PubChem CID 70287801) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide
PubChem CID70287801
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CC1CCC1)C(=O)C(N)=O
InChIInChI=1S/C11H20N2O2/c1-7(2)13-9(10(14)11(12)15)6-8-4-3-5-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15)
InChIKeySSBIMCQIESVNSM-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide?
The IUPAC name of 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide (CID 70287801) is 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide is CC(C)NC(CC1CCC1)C(=O)C(N)=O.
What is the InChIKey of 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide?
The InChIKey is SSBIMCQIESVNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)13-9(10(14)11(12)15)6-8-4-3-5-8/h7-9,13H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide?
4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide has a molecular weight of 212.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-oxo-3-(propan-2-ylamino)butanamide is sourced from PubChem (CID 70287801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).