4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid

C15H19NO5 — CID 66245647

IUPAC4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccc(OC)cc1)C1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c1-3-16(13-9-21-8-12(13)15(18)19)14(17)10-4-6-11(20-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyJEBUBCLMBZWIQR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.26
Rot. Bonds5

About 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245647) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID66245647
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccc(OC)cc1)C1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c1-3-16(13-9-21-8-12(13)15(18)19)14(17)10-4-6-11(20-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyJEBUBCLMBZWIQR-UHFFFAOYSA-N
XLogP1.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dihydroxybenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107728145
4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246233
4-[(4-bromo-3-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 81290208
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 106752679
4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66238179
4-[ethyl-(5-methylpyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245826
4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246419
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-[(2,3-dimethylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246027
4-[ethyl-(2-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66248007

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid (CID 66245647) is 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)c1ccc(OC)cc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JEBUBCLMBZWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-16(13-9-21-8-12(13)15(18)19)14(17)10-4-6-11(20-2)7-5-10/h4-7,12-13H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).