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

C14H17FN2O4 — CID 66246238

IUPAC4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Nc1ccccc1F)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-2-17(12-8-21-7-9(12)13(18)19)14(20)16-11-6-4-3-5-10(11)15/h3-6,9,12H,2,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyPOPDNZPAOPHQLA-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.78
Rot. Bonds4

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

4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66246238) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66246238
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Nc1ccccc1F)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-2-17(12-8-21-7-9(12)13(18)19)14(20)16-11-6-4-3-5-10(11)15/h3-6,9,12H,2,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyPOPDNZPAOPHQLA-UHFFFAOYSA-N
XLogP1.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-[ethyl-(2-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66248007
4-[ethyl(thiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247016
4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245923
4-[(4-chloro-2-fluorophenyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265530
4-[(3-bromo-2-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107949307
N-[3-[[ethyl-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamoyl]amino]-4-fluorophenyl]propanamide
CID 72931622
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
4-[N-ethyl-2-(trifluoromethyl)anilino]oxolane-3-carboxylic acid
CID 66246049
4-[(2,3-dimethylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 66246027
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(2-fluorophenyl)urea
CID 78793604
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66246238) is 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)Nc1ccccc1F)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is POPDNZPAOPHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-17(12-8-21-7-9(12)13(18)19)14(20)16-11-6-4-3-5-10(11)15/h3-6,9,12H,2,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).