3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid

C14H22N2O3 — CID 43522137

IUPAC3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c17-13(11-12-3-1-2-4-12)16-9-7-15(8-10-16)6-5-14(18)19/h1,3,12H,2,4-11H2,(H,18,19)
InChIKeyVAWSMJOIXQOXTI-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.96
Rot. Bonds5

About 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid

3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid (PubChem CID 43522137) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid
PubChem CID43522137
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)CC2C=CCC2)CC1
InChIInChI=1S/C14H22N2O3/c17-13(11-12-3-1-2-4-12)16-9-7-15(8-10-16)6-5-14(18)19/h1,3,12H,2,4-11H2,(H,18,19)
InChIKeyVAWSMJOIXQOXTI-UHFFFAOYSA-N
XLogP0.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid (CID 43522137) is 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)CC2C=CCC2)CC1.
What is the InChIKey of 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid?
The InChIKey is VAWSMJOIXQOXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(11-12-3-1-2-4-12)16-9-7-15(8-10-16)6-5-14(18)19/h1,3,12H,2,4-11H2,(H,18,19).
What are the key properties of 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid?
3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclopent-2-en-1-ylacetyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).