3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid

C11H20O5 — CID 22812792

IUPAC3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid
SMILESCOC(OC)[C@@H]1CC[C@@H](O)[C@H]1CCC(=O)O
InChIInChI=1S/C11H20O5/c1-15-11(16-2)8-3-5-9(12)7(8)4-6-10(13)14/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyXOMJCRDBYAESRS-DJLDLDEBSA-N
MW232.28 g/mol
LogP0.86
Rot. Bonds6

About 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid

3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid (PubChem CID 22812792) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid.

Molecular Properties

Compound Name3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid
PubChem CID22812792
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid
SMILESCOC(OC)[C@@H]1CC[C@@H](O)[C@H]1CCC(=O)O
InChIInChI=1S/C11H20O5/c1-15-11(16-2)8-3-5-9(12)7(8)4-6-10(13)14/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyXOMJCRDBYAESRS-DJLDLDEBSA-N
XLogP0.86
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid?
The IUPAC name of 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid (CID 22812792) is 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid.
What is the SMILES notation for 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid?
The canonical SMILES for 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid is COC(OC)[C@@H]1CC[C@@H](O)[C@H]1CCC(=O)O.
What is the InChIKey of 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid?
The InChIKey is XOMJCRDBYAESRS-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H20O5/c1-15-11(16-2)8-3-5-9(12)7(8)4-6-10(13)14/h7-9,11-12H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9+/m0/s1.
What are the key properties of 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid?
3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,5R)-2-(dimethoxymethyl)-5-hydroxycyclopentyl]propanoic acid is sourced from PubChem (CID 22812792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).