5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid

C17H20FNO6 — CID 19709502

IUPAC5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1C(C(=O)O)CC(C(=O)O)C1c1ccccc1F
InChIInChI=1S/C17H20FNO6/c1-17(2,3)25-16(24)19-12(15(22)23)8-10(14(20)21)13(19)9-6-4-5-7-11(9)18/h4-7,10,12-13H,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyQQRGVBZGITUQMG-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.66
Rot. Bonds3

About 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid

5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid (PubChem CID 19709502) has the molecular formula C17H20FNO6 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid
PubChem CID19709502
Molecular FormulaC17H20FNO6
Molecular Weight353.35 g/mol
Exact Mass353.13
IUPAC Name5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1C(C(=O)O)CC(C(=O)O)C1c1ccccc1F
InChIInChI=1S/C17H20FNO6/c1-17(2,3)25-16(24)19-12(15(22)23)8-10(14(20)21)13(19)9-6-4-5-7-11(9)18/h4-7,10,12-13H,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyQQRGVBZGITUQMG-UHFFFAOYSA-N
XLogP2.66
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic 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 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid (CID 19709502) is 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid is CC(C)(C)OC(=O)N1C(C(=O)O)CC(C(=O)O)C1c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is QQRGVBZGITUQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO6/c1-17(2,3)25-16(24)19-12(15(22)23)8-10(14(20)21)13(19)9-6-4-5-7-11(9)18/h4-7,10,12-13H,8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid?
5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 19709502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).