5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid

C13H16N2O5 — CID 107433194

IUPAC5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid
SMILESCc1oc(C)c(C(=O)N2CC(=O)NCC2C(=O)O)c1C
InChIInChI=1S/C13H16N2O5/c1-6-7(2)20-8(3)11(6)12(17)15-5-10(16)14-4-9(15)13(18)19/h9H,4-5H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyKNIDYUXWJNWWKQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.23
Rot. Bonds2

About 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid

5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid (PubChem CID 107433194) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid
PubChem CID107433194
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid
SMILESCc1oc(C)c(C(=O)N2CC(=O)NCC2C(=O)O)c1C
InChIInChI=1S/C13H16N2O5/c1-6-7(2)20-8(3)11(6)12(17)15-5-10(16)14-4-9(15)13(18)19/h9H,4-5H2,1-3H3,(H,14,16)(H,18,19)
InChIKeyKNIDYUXWJNWWKQ-UHFFFAOYSA-N
XLogP0.23
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid 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 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid (CID 107433194) is 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid is Cc1oc(C)c(C(=O)N2CC(=O)NCC2C(=O)O)c1C.
What is the InChIKey of 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is KNIDYUXWJNWWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-6-7(2)20-8(3)11(6)12(17)15-5-10(16)14-4-9(15)13(18)19/h9H,4-5H2,1-3H3,(H,14,16)(H,18,19).
What are the key properties of 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid?
5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2,4,5-trimethylfuran-3-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 107433194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).