2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid

C17H19FN2O4 — CID 15998511

IUPAC2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(C2CCCC2)C(c2cccc(F)c2)C1=O
InChIInChI=1S/C17H19FN2O4/c18-12-5-3-4-11(8-12)16-17(24)19(10-15(22)23)9-14(21)20(16)13-6-1-2-7-13/h3-5,8,13,16H,1-2,6-7,9-10H2,(H,22,23)
InChIKeyTYEHRKXOXPFDRX-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid

2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid (PubChem CID 15998511) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid
PubChem CID15998511
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid
SMILESO=C(O)CN1CC(=O)N(C2CCCC2)C(c2cccc(F)c2)C1=O
InChIInChI=1S/C17H19FN2O4/c18-12-5-3-4-11(8-12)16-17(24)19(10-15(22)23)9-14(21)20(16)13-6-1-2-7-13/h3-5,8,13,16H,1-2,6-7,9-10H2,(H,22,23)
InChIKeyTYEHRKXOXPFDRX-UHFFFAOYSA-N
XLogP1.56
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid (CID 15998511) is 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid is O=C(O)CN1CC(=O)N(C2CCCC2)C(c2cccc(F)c2)C1=O.
What is the InChIKey of 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid?
The InChIKey is TYEHRKXOXPFDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-12-5-3-4-11(8-12)16-17(24)19(10-15(22)23)9-14(21)20(16)13-6-1-2-7-13/h3-5,8,13,16H,1-2,6-7,9-10H2,(H,22,23).
What are the key properties of 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid?
2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid has a molecular weight of 334.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 15998511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).