2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid

C10H11NO3 — CID 84664529

IUPAC2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
SMILESO=C(O)COc1cccc2c1CNC2
InChIInChI=1S/C10H11NO3/c12-10(13)6-14-9-3-1-2-7-4-11-5-8(7)9/h1-3,11H,4-6H2,(H,12,13)
InChIKeyBWTDBTKVDFTVTJ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.75
Rot. Bonds3

About 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid

2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid (PubChem CID 84664529) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
PubChem CID84664529
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
SMILESO=C(O)COc1cccc2c1CNC2
InChIInChI=1S/C10H11NO3/c12-10(13)6-14-9-3-1-2-7-4-11-5-8(7)9/h1-3,11H,4-6H2,(H,12,13)
InChIKeyBWTDBTKVDFTVTJ-UHFFFAOYSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid (CID 84664529) is 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid is O=C(O)COc1cccc2c1CNC2.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid?
The InChIKey is BWTDBTKVDFTVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-10(13)6-14-9-3-1-2-7-4-11-5-8(7)9/h1-3,11H,4-6H2,(H,12,13).
What are the key properties of 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid?
2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid has a molecular weight of 193.20 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid is sourced from PubChem (CID 84664529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).