4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid

C14H16FNO4 — CID 66245238

IUPAC4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccccc1F)C1COCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-2-16(12-8-20-7-10(12)14(18)19)13(17)9-5-3-4-6-11(9)15/h3-6,10,12H,2,7-8H2,1H3,(H,18,19)
InChIKeyKMJXOXITUBNRRP-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.39
Rot. Bonds4

About 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245238) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID66245238
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccccc1F)C1COCC1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-2-16(12-8-20-7-10(12)14(18)19)13(17)9-5-3-4-6-11(9)15/h3-6,10,12H,2,7-8H2,1H3,(H,18,19)
InChIKeyKMJXOXITUBNRRP-UHFFFAOYSA-N
XLogP1.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-(2-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66248007
4-[(3-bromo-2-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107949307
4-[(2,3-dimethylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246027
4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246238
4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245241
4-[(5-chloro-2-methylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872052
4-[(3-chloro-4-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872449
4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[(3,4-dihydroxybenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107728145
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647
4-[ethyl-(2-methylpyridine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 106752679

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid (CID 66245238) is 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)c1ccccc1F)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is KMJXOXITUBNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-2-16(12-8-20-7-10(12)14(18)19)13(17)9-5-3-4-6-11(9)15/h3-6,10,12H,2,7-8H2,1H3,(H,18,19).
What are the key properties of 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).