2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid

C12H16O3 — CID 134877641

IUPAC2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid
SMILESO=C(O)C[C@]1(C2=CCCC2)CCCC1=O
InChIInChI=1S/C12H16O3/c13-10-6-3-7-12(10,8-11(14)15)9-4-1-2-5-9/h4H,1-3,5-8H2,(H,14,15)/t12-/m0/s1
InChIKeyQMCHJSZKMBTYRX-LBPRGKRZSA-N
MW208.26 g/mol
LogP2.31
Rot. Bonds3

About 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid

2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid (PubChem CID 134877641) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid
PubChem CID134877641
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid
SMILESO=C(O)C[C@]1(C2=CCCC2)CCCC1=O
InChIInChI=1S/C12H16O3/c13-10-6-3-7-12(10,8-11(14)15)9-4-1-2-5-9/h4H,1-3,5-8H2,(H,14,15)/t12-/m0/s1
InChIKeyQMCHJSZKMBTYRX-LBPRGKRZSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.31
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-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid?
The IUPAC name of 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid (CID 134877641) is 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid is O=C(O)C[C@]1(C2=CCCC2)CCCC1=O.
What is the InChIKey of 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid?
The InChIKey is QMCHJSZKMBTYRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O3/c13-10-6-3-7-12(10,8-11(14)15)9-4-1-2-5-9/h4H,1-3,5-8H2,(H,14,15)/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid?
2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(cyclopenten-1-yl)-2-oxocyclopentyl]acetic acid is sourced from PubChem (CID 134877641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).