2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid

C10H14O6 — CID 88842148

IUPAC2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid
SMILESO=CCC(=O)OC1CC(O)C(CC(=O)O)C1
InChIInChI=1S/C10H14O6/c11-2-1-10(15)16-7-3-6(4-9(13)14)8(12)5-7/h2,6-8,12H,1,3-5H2,(H,13,14)
InChIKeyMISQXUMZEUMORA-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.27
Rot. Bonds5

About 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid

2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid (PubChem CID 88842148) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid
PubChem CID88842148
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid
SMILESO=CCC(=O)OC1CC(O)C(CC(=O)O)C1
InChIInChI=1S/C10H14O6/c11-2-1-10(15)16-7-3-6(4-9(13)14)8(12)5-7/h2,6-8,12H,1,3-5H2,(H,13,14)
InChIKeyMISQXUMZEUMORA-UHFFFAOYSA-N
XLogP-0.27
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid?
The IUPAC name of 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid (CID 88842148) is 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid is O=CCC(=O)OC1CC(O)C(CC(=O)O)C1.
What is the InChIKey of 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid?
The InChIKey is MISQXUMZEUMORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c11-2-1-10(15)16-7-3-6(4-9(13)14)8(12)5-7/h2,6-8,12H,1,3-5H2,(H,13,14).
What are the key properties of 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid?
2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid has a molecular weight of 230.22 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(3-oxopropanoyloxy)cyclopentyl]acetic acid is sourced from PubChem (CID 88842148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).