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

C13H20O6 — CID 22811558

IUPAC2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid
SMILESO=C[C@@H]1[C@@H](CC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1
InChIInChI=1S/C13H20O6/c14-7-9-8(5-12(16)17)10(15)6-11(9)19-13-3-1-2-4-18-13/h7-11,13,15H,1-6H2,(H,16,17)/t8-,9-,10+,11-,13?/m1/s1
InChIKeyOOUWQBBZVAEAKS-TWEVDUBQSA-N
MW272.30 g/mol
LogP0.57
Rot. Bonds5

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

2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid (PubChem CID 22811558) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid
PubChem CID22811558
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid
SMILESO=C[C@@H]1[C@@H](CC(=O)O)[C@@H](O)C[C@H]1OC1CCCCO1
InChIInChI=1S/C13H20O6/c14-7-9-8(5-12(16)17)10(15)6-11(9)19-13-3-1-2-4-18-13/h7-11,13,15H,1-6H2,(H,16,17)/t8-,9-,10+,11-,13?/m1/s1
InChIKeyOOUWQBBZVAEAKS-TWEVDUBQSA-N
XLogP0.57
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.57
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)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
The IUPAC name of 2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid (CID 22811558) is 2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
The canonical SMILES for 2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid is O=C[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)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
The InChIKey is OOUWQBBZVAEAKS-TWEVDUBQSA-N. The full InChI is InChI=1S/C13H20O6/c14-7-9-8(5-12(16)17)10(15)6-11(9)19-13-3-1-2-4-18-13/h7-11,13,15H,1-6H2,(H,16,17)/t8-,9-,10+,11-,13?/m1/s1.
What are the key properties of 2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
2-[(1R,2R,3R,5S)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.57, 5 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)-2-formyl-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]acetic acid is sourced from PubChem (CID 22811558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).