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

C15H18FNO4 — CID 66247807

IUPAC4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Cc1cccc(F)c1)C1COCC1C(=O)O
InChIInChI=1S/C15H18FNO4/c1-2-17(13-9-21-8-12(13)15(19)20)14(18)7-10-4-3-5-11(16)6-10/h3-6,12-13H,2,7-9H2,1H3,(H,19,20)
InChIKeyBGXQBSHKQRMTHX-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.32
Rot. Bonds5

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

4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66247807) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66247807
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)Cc1cccc(F)c1)C1COCC1C(=O)O
InChIInChI=1S/C15H18FNO4/c1-2-17(13-9-21-8-12(13)15(19)20)14(18)7-10-4-3-5-11(16)6-10/h3-6,12-13H,2,7-9H2,1H3,(H,19,20)
InChIKeyBGXQBSHKQRMTHX-UHFFFAOYSA-N
XLogP1.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid (CID 66247807) is 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)Cc1cccc(F)c1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BGXQBSHKQRMTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-2-17(13-9-21-8-12(13)15(19)20)14(18)7-10-4-3-5-11(16)6-10/h3-6,12-13H,2,7-9H2,1H3,(H,19,20).
What are the key properties of 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-(3-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).