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

C14H21NO3 — CID 64767090

IUPAC3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C14H21NO3/c16-13(17)8-7-11-4-3-9-15(10-11)14(18)12-5-1-2-6-12/h1-2,11-12H,3-10H2,(H,16,17)
InChIKeyNOLRXFXZYGRJHX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.06
Rot. Bonds4

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

3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 64767090) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID64767090
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C14H21NO3/c16-13(17)8-7-11-4-3-9-15(10-11)14(18)12-5-1-2-6-12/h1-2,11-12H,3-10H2,(H,16,17)
InChIKeyNOLRXFXZYGRJHX-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.06
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-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid (CID 64767090) is 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)C2CC=CC2)C1.
What is the InChIKey of 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is NOLRXFXZYGRJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c16-13(17)8-7-11-4-3-9-15(10-11)14(18)12-5-1-2-6-12/h1-2,11-12H,3-10H2,(H,16,17).
What are the key properties of 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 64767090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).