2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid

C7H10O4 — CID 66960465

IUPAC2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)C=C[C@@H](O)C1
InChIInChI=1S/C7H10O4/c8-5-1-2-7(11,3-5)4-6(9)10/h1-2,5,8,11H,3-4H2,(H,9,10)/t5-,7-/m1/s1
InChIKeyNHIBPVHOJHYHIL-IYSWYEEDSA-N
MW158.15 g/mol
LogP-0.49
Rot. Bonds2

About 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid

2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid (PubChem CID 66960465) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid
PubChem CID66960465
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid
SMILESO=C(O)C[C@@]1(O)C=C[C@@H](O)C1
InChIInChI=1S/C7H10O4/c8-5-1-2-7(11,3-5)4-6(9)10/h1-2,5,8,11H,3-4H2,(H,9,10)/t5-,7-/m1/s1
InChIKeyNHIBPVHOJHYHIL-IYSWYEEDSA-N
XLogP-0.49
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid (CID 66960465) is 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid is O=C(O)C[C@@]1(O)C=C[C@@H](O)C1.
What is the InChIKey of 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid?
The InChIKey is NHIBPVHOJHYHIL-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10O4/c8-5-1-2-7(11,3-5)4-6(9)10/h1-2,5,8,11H,3-4H2,(H,9,10)/t5-,7-/m1/s1.
What are the key properties of 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid?
2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid has a molecular weight of 158.15 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-1,4-dihydroxycyclopent-2-en-1-yl]acetic acid is sourced from PubChem (CID 66960465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).