3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid

C13H20N2O3 — CID 64767440

IUPAC3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C13H20N2O3/c16-12(17)5-6-14-7-9-15(10-8-14)13(18)11-3-1-2-4-11/h1-2,11H,3-10H2,(H,16,17)
InChIKeyGURHAFPJQZMSGW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.57
Rot. Bonds4

About 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 64767440) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID64767440
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C13H20N2O3/c16-12(17)5-6-14-7-9-15(10-8-14)13(18)11-3-1-2-4-11/h1-2,11H,3-10H2,(H,16,17)
InChIKeyGURHAFPJQZMSGW-UHFFFAOYSA-N
XLogP0.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-Cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid
CID 43522137
3-[4-(Cyclohex-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid
CID 43522147
3-(4-Pent-4-enoylpiperazin-1-yl)propanoic acid
CID 62685682
3-[Cyclopent-3-ene-1-carbonyl(cyclopropyl)amino]propanoic acid
CID 64766284
3-[Cyclopent-3-ene-1-carbonyl(ethyl)amino]butanoic acid
CID 64766292
3-[Cyclopent-3-ene-1-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 64766293
1-(Cyclopent-3-ene-1-carbonyl)azetidine-3-carboxylic acid
CID 64766479
3-[Cyclopent-3-ene-1-carbonyl(propan-2-yl)amino]propanoic acid
CID 64766646
3-[Tert-butyl(cyclopent-3-ene-1-carbonyl)amino]propanoic acid
CID 64766733
1-(Cyclopent-3-ene-1-carbonyl)piperidine-4-carboxylic acid
CID 64766989
3-[Cyclopent-3-ene-1-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 64767001
3-[Cyclopent-3-ene-1-carbonyl(methyl)amino]propanoic acid
CID 64767262

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid (CID 64767440) is 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)C2CC=CC2)CC1.
What is the InChIKey of 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is GURHAFPJQZMSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(17)5-6-14-7-9-15(10-8-14)13(18)11-3-1-2-4-11/h1-2,11H,3-10H2,(H,16,17).
What are the key properties of 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 64767440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).