2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H21NO3 — CID 79614786

IUPAC2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)C1CC=CC1
InChIInChI=1S/C15H21NO3/c17-14(18)9-10-7-12-5-6-13(8-10)16(12)15(19)11-3-1-2-4-11/h1-2,10-13H,3-9H2,(H,17,18)
InChIKeyOHFWNCISROMIDI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.20
Rot. Bonds3

About 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79614786) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79614786
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)C1CC=CC1
InChIInChI=1S/C15H21NO3/c17-14(18)9-10-7-12-5-6-13(8-10)16(12)15(19)11-3-1-2-4-11/h1-2,10-13H,3-9H2,(H,17,18)
InChIKeyOHFWNCISROMIDI-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.20
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 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79614786) is 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2C(=O)C1CC=CC1.
What is the InChIKey of 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is OHFWNCISROMIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(18)9-10-7-12-5-6-13(8-10)16(12)15(19)11-3-1-2-4-11/h1-2,10-13H,3-9H2,(H,17,18).
What are the key properties of 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(cyclopent-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79614786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).