2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid

C13H22N2O3 — CID 62317248

IUPAC2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-10(13(17)18)14-6-8-15(9-7-14)12(16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeySZMJUROADCHEMI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.79
Rot. Bonds3

About 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317248) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317248
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C13H22N2O3/c1-10(13(17)18)14-6-8-15(9-7-14)12(16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeySZMJUROADCHEMI-UHFFFAOYSA-N
XLogP0.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
2-[4-(thiane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 80594583
2-[4-(azepane-2-carbonyl)piperazin-1-yl]propanoic acid
CID 64569745
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
CID 63337316
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 63337916
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62309502
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 94812868

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid (CID 62317248) is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is SZMJUROADCHEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(13(17)18)14-6-8-15(9-7-14)12(16)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).