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

C15H23NO3 — CID 62215932

IUPAC3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C15H23NO3/c17-14(11-12-5-1-2-6-12)16-10-4-3-7-13(16)8-9-15(18)19/h1,5,12-13H,2-4,6-11H2,(H,18,19)
InChIKeyYTZTXSMQMBTFPL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.59
Rot. Bonds5

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

3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid (PubChem CID 62215932) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid
PubChem CID62215932
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C15H23NO3/c17-14(11-12-5-1-2-6-12)16-10-4-3-7-13(16)8-9-15(18)19/h1,5,12-13H,2-4,6-11H2,(H,18,19)
InChIKeyYTZTXSMQMBTFPL-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid (CID 62215932) is 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)CC1C=CCC1.
What is the InChIKey of 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid?
The InChIKey is YTZTXSMQMBTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(11-12-5-1-2-6-12)16-10-4-3-7-13(16)8-9-15(18)19/h1,5,12-13H,2-4,6-11H2,(H,18,19).
What are the key properties of 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid?
3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).