2-(4-hydroxycyclopent-2-en-1-yl)acetic acid

C7H10O3 — CID 18427260

IUPAC2-(4-hydroxycyclopent-2-en-1-yl)acetic acid
SMILESO=C(O)CC1C=CC(O)C1
InChIInChI=1S/C7H10O3/c8-6-2-1-5(3-6)4-7(9)10/h1-2,5-6,8H,3-4H2,(H,9,10)
InChIKeyXAFVCDVVDSBQPL-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.40
Rot. Bonds2

About 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid

2-(4-hydroxycyclopent-2-en-1-yl)acetic acid (PubChem CID 18427260) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxycyclopent-2-en-1-yl)acetic acid
PubChem CID18427260
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(4-hydroxycyclopent-2-en-1-yl)acetic acid
SMILESO=C(O)CC1C=CC(O)C1
InChIInChI=1S/C7H10O3/c8-6-2-1-5(3-6)4-7(9)10/h1-2,5-6,8H,3-4H2,(H,9,10)
InChIKeyXAFVCDVVDSBQPL-UHFFFAOYSA-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'}

Analyze 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Kbr2kpc2U5
CID 11550012
3-Hydroxycyclopent-1-enecarboxylic acid
CID 21750168
5-J2-IsoP
CID 52921968
Hocpca, 3S
CID 11579122
5-A2-IsoP
CID 131840050
3-Hydroxy-3-tritiocyclopentene-1-carboxylic acid
CID 72714102
ent-5-J2-IsoP
CID 52921967
5-epi-5-J2-IsoP
CID 52921969
ent-5-epi-5-J2-IsoP
CID 52921970
4-Hydroxy-cyclopent-2-ene-1,2-dicarboxylic acid
CID 23143950
dimethyl 2-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]propanedioate
CID 11264353
Tetrahydrooxybenzoesaure
CID 12625645

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid?
The IUPAC name of 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid (CID 18427260) is 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid is O=C(O)CC1C=CC(O)C1.
What is the InChIKey of 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid?
The InChIKey is XAFVCDVVDSBQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-6-2-1-5(3-6)4-7(9)10/h1-2,5-6,8H,3-4H2,(H,9,10).
What are the key properties of 2-(4-hydroxycyclopent-2-en-1-yl)acetic acid?
2-(4-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-(4-hydroxycyclopent-2-en-1-yl)acetic acid is sourced from PubChem (CID 18427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).