2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid

C15H24O6 — CID 22811556

IUPAC2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
SMILESO=CCC[C@@H]1[C@@H](CC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1
InChIInChI=1S/C15H24O6/c16-6-3-4-10-11(8-14(18)19)12(17)9-13(10)21-15-5-1-2-7-20-15/h6,10-13,15,17H,1-5,7-9H2,(H,18,19)/t10-,11-,12+,13-,15?/m1/s1
InChIKeyJUVIQUJEYNPSHB-CKMVWSRUSA-N
MW300.35 g/mol
LogP1.35
Rot. Bonds7

About 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid

2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid (PubChem CID 22811556) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
PubChem CID22811556
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid
SMILESO=CCC[C@@H]1[C@@H](CC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1
InChIInChI=1S/C15H24O6/c16-6-3-4-10-11(8-14(18)19)12(17)9-13(10)21-15-5-1-2-7-20-15/h6,10-13,15,17H,1-5,7-9H2,(H,18,19)/t10-,11-,12+,13-,15?/m1/s1
InChIKeyJUVIQUJEYNPSHB-CKMVWSRUSA-N
XLogP1.35
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid (CID 22811556) is 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid is O=CCC[C@@H]1[C@@H](CC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1.
What is the InChIKey of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
The InChIKey is JUVIQUJEYNPSHB-CKMVWSRUSA-N. The full InChI is InChI=1S/C15H24O6/c16-6-3-4-10-11(8-14(18)19)12(17)9-13(10)21-15-5-1-2-7-20-15/h6,10-13,15,17H,1-5,7-9H2,(H,18,19)/t10-,11-,12+,13-,15?/m1/s1.
What are the key properties of 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid?
2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid has a molecular weight of 300.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-(3-oxopropyl)cyclopentyl]acetic acid is sourced from PubChem (CID 22811556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).