3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid

C8H12O3 — CID 66322335

IUPAC3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid
SMILESO=C(O)CCC1(O)C=CCC1
InChIInChI=1S/C8H12O3/c9-7(10)3-6-8(11)4-1-2-5-8/h1,4,11H,2-3,5-6H2,(H,9,10)
InChIKeyPZTADAZJLLNISV-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.93
Rot. Bonds3

About 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid

3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid (PubChem CID 66322335) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid
PubChem CID66322335
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid
SMILESO=C(O)CCC1(O)C=CCC1
InChIInChI=1S/C8H12O3/c9-7(10)3-6-8(11)4-1-2-5-8/h1,4,11H,2-3,5-6H2,(H,9,10)
InChIKeyPZTADAZJLLNISV-UHFFFAOYSA-N
XLogP0.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
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-hydroxycyclopent-2-en-1-yl)propanoic acid?
The IUPAC name of 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid (CID 66322335) is 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid.
What is the SMILES notation for 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid?
The canonical SMILES for 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid is O=C(O)CCC1(O)C=CCC1.
What is the InChIKey of 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid?
The InChIKey is PZTADAZJLLNISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-7(10)3-6-8(11)4-1-2-5-8/h1,4,11H,2-3,5-6H2,(H,9,10).
What are the key properties of 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid?
3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid has a molecular weight of 156.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopent-2-en-1-yl)propanoic acid is sourced from PubChem (CID 66322335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).