2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C13H18N2O4 — CID 64836246

IUPAC2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1C(=O)C2CC2C1=O)C(C)C
InChIInChI=1S/C13H18N2O4/c1-6(2)11(7(3)16)14-10(17)5-15-12(18)8-4-9(8)13(15)19/h6,8-9,11H,4-5H2,1-3H3,(H,14,17)
InChIKeyKMXCCGBXKAUZEI-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.28
Rot. Bonds5

About 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 64836246) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID64836246
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CN1C(=O)C2CC2C1=O)C(C)C
InChIInChI=1S/C13H18N2O4/c1-6(2)11(7(3)16)14-10(17)5-15-12(18)8-4-9(8)13(15)19/h6,8-9,11H,4-5H2,1-3H3,(H,14,17)
InChIKeyKMXCCGBXKAUZEI-UHFFFAOYSA-N
XLogP-0.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 64836246) is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CN1C(=O)C2CC2C1=O)C(C)C.
What is the InChIKey of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is KMXCCGBXKAUZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-6(2)11(7(3)16)14-10(17)5-15-12(18)8-4-9(8)13(15)19/h6,8-9,11H,4-5H2,1-3H3,(H,14,17).
What are the key properties of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 64836246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).