4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid

C15H18FNO4 — CID 66255653

IUPAC4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c1-15(14(19)20)9-21-8-12(15)17-13(18)7-4-10-2-5-11(16)6-3-10/h2-3,5-6,12H,4,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyXTIGVFWJTXDSLT-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.36
Rot. Bonds5

About 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid

4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66255653) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid
PubChem CID66255653
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c1-15(14(19)20)9-21-8-12(15)17-13(18)7-4-10-2-5-11(16)6-3-10/h2-3,5-6,12H,4,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyXTIGVFWJTXDSLT-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid (CID 66255653) is 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is XTIGVFWJTXDSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(14(19)20)9-21-8-12(15)17-13(18)7-4-10-2-5-11(16)6-3-10/h2-3,5-6,12H,4,7-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid?
4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)propanoylamino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66255653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).