3-amino-4-cyclobutyl-2-oxobutanamide

C8H14N2O2 — CID 11367243

IUPAC3-amino-4-cyclobutyl-2-oxobutanamide
SMILESNC(=O)C(=O)C(N)CC1CCC1
InChIInChI=1S/C8H14N2O2/c9-6(7(11)8(10)12)4-5-2-1-3-5/h5-6H,1-4,9H2,(H2,10,12)
InChIKeyMCFRTSHBKQNPED-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.44
Rot. Bonds4

About 3-amino-4-cyclobutyl-2-oxobutanamide

3-amino-4-cyclobutyl-2-oxobutanamide (PubChem CID 11367243) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-amino-4-cyclobutyl-2-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-cyclobutyl-2-oxobutanamide
PubChem CID11367243
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-amino-4-cyclobutyl-2-oxobutanamide
SMILESNC(=O)C(=O)C(N)CC1CCC1
InChIInChI=1S/C8H14N2O2/c9-6(7(11)8(10)12)4-5-2-1-3-5/h5-6H,1-4,9H2,(H2,10,12)
InChIKeyMCFRTSHBKQNPED-UHFFFAOYSA-N
XLogP-0.44
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.44
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 3-amino-4-cyclobutyl-2-oxobutanamide?
The IUPAC name of 3-amino-4-cyclobutyl-2-oxobutanamide (CID 11367243) is 3-amino-4-cyclobutyl-2-oxobutanamide.
What is the SMILES notation for 3-amino-4-cyclobutyl-2-oxobutanamide?
The canonical SMILES for 3-amino-4-cyclobutyl-2-oxobutanamide is NC(=O)C(=O)C(N)CC1CCC1.
What is the InChIKey of 3-amino-4-cyclobutyl-2-oxobutanamide?
The InChIKey is MCFRTSHBKQNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-6(7(11)8(10)12)4-5-2-1-3-5/h5-6H,1-4,9H2,(H2,10,12).
What are the key properties of 3-amino-4-cyclobutyl-2-oxobutanamide?
3-amino-4-cyclobutyl-2-oxobutanamide has a molecular weight of 170.21 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclobutyl-2-oxobutanamide is sourced from PubChem (CID 11367243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).