4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid

C13H20N4O4 — CID 66246127

IUPAC4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCCn1cccn1)C1COCC1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-2-17(11-9-21-8-10(11)12(18)19)13(20)14-5-7-16-6-3-4-15-16/h3-4,6,10-11H,2,5,7-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyJNKROEOGCVGZQT-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.01
Rot. Bonds6

About 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246127) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66246127
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCCn1cccn1)C1COCC1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-2-17(11-9-21-8-10(11)12(18)19)13(20)14-5-7-16-6-3-4-15-16/h3-4,6,10-11H,2,5,7-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyJNKROEOGCVGZQT-UHFFFAOYSA-N
XLogP0.01
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66246127) is 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)NCCn1cccn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JNKROEOGCVGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-2-17(11-9-21-8-10(11)12(18)19)13(20)14-5-7-16-6-3-4-15-16/h3-4,6,10-11H,2,5,7-9H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).