3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

C11H16N2O4 — CID 103549664

IUPAC3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C1CN(C(=O)C2CCC(C(=O)O)C2)CCN1
InChIInChI=1S/C11H16N2O4/c14-9-6-13(4-3-12-9)10(15)7-1-2-8(5-7)11(16)17/h7-8H,1-6H2,(H,12,14)(H,16,17)
InChIKeyCQSPHUMLHTVRFH-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.55
Rot. Bonds2

About 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid

3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103549664) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103549664
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C1CN(C(=O)C2CCC(C(=O)O)C2)CCN1
InChIInChI=1S/C11H16N2O4/c14-9-6-13(4-3-12-9)10(15)7-1-2-8(5-7)11(16)17/h7-8H,1-6H2,(H,12,14)(H,16,17)
InChIKeyCQSPHUMLHTVRFH-UHFFFAOYSA-N
XLogP-0.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103549664) is 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is O=C1CN(C(=O)C2CCC(C(=O)O)C2)CCN1.
What is the InChIKey of 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is CQSPHUMLHTVRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-6-13(4-3-12-9)10(15)7-1-2-8(5-7)11(16)17/h7-8H,1-6H2,(H,12,14)(H,16,17).
What are the key properties of 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).