2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid

C7H10O3 — CID 12813247

IUPAC2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1C=CC[C@@H]1O
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h1-2,5-6,8H,3-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyXJEXHGCEDMJGEU-WDSKDSINSA-N
MW142.15 g/mol
LogP0.40
Rot. Bonds2

About 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid

2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid (PubChem CID 12813247) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid
PubChem CID12813247
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@@H]1C=CC[C@@H]1O
InChIInChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h1-2,5-6,8H,3-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyXJEXHGCEDMJGEU-WDSKDSINSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.40
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 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid (CID 12813247) is 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid is O=C(O)C[C@@H]1C=CC[C@@H]1O.
What is the InChIKey of 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid?
The InChIKey is XJEXHGCEDMJGEU-WDSKDSINSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h1-2,5-6,8H,3-4H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid?
2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid has a molecular weight of 142.15 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-5-hydroxycyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 12813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).