3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid

C20H16FNO5 — CID 170341548

IUPAC3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid
SMILESCC(C)OC(=O)c1ccn2c(C(=O)c3ccc(F)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H16FNO5/c1-11(2)27-20(26)13-7-8-22-16(9-13)15(19(24)25)10-17(22)18(23)12-3-5-14(21)6-4-12/h3-11H,1-2H3,(H,24,25)
InChIKeyZTTCHELEXXSNOI-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.57
Rot. Bonds5

About 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid

3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid (PubChem CID 170341548) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid
PubChem CID170341548
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid
SMILESCC(C)OC(=O)c1ccn2c(C(=O)c3ccc(F)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C20H16FNO5/c1-11(2)27-20(26)13-7-8-22-16(9-13)15(19(24)25)10-17(22)18(23)12-3-5-14(21)6-4-12/h3-11H,1-2H3,(H,24,25)
InChIKeyZTTCHELEXXSNOI-UHFFFAOYSA-N
XLogP3.57
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid?
The IUPAC name of 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid (CID 170341548) is 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid is CC(C)OC(=O)c1ccn2c(C(=O)c3ccc(F)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid?
The InChIKey is ZTTCHELEXXSNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO5/c1-11(2)27-20(26)13-7-8-22-16(9-13)15(19(24)25)10-17(22)18(23)12-3-5-14(21)6-4-12/h3-11H,1-2H3,(H,24,25).
What are the key properties of 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid?
3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid has a molecular weight of 369.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-7-propan-2-yloxycarbonylindolizine-1-carboxylic acid is sourced from PubChem (CID 170341548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).