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

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Related Compounds

1-(5-methyl-1,2-oxazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432931
(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
CID 79034665
1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432808
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433203
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-(4-bromo-3-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433045
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
1-(1-methyl-6-oxopyridazine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433160
1-(4-methylpiperazine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107437216

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).