2-(2-hydroxyethyl)isoindole-5-carboxylic acid

C11H11NO3 — CID 82163606

IUPAC2-(2-hydroxyethyl)isoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2cn(CCO)cc2c1
InChIInChI=1S/C11H11NO3/c13-4-3-12-6-9-2-1-8(11(14)15)5-10(9)7-12/h1-2,5-7,13H,3-4H2,(H,14,15)
InChIKeyWLXIQVGQQVCMFQ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.33
Rot. Bonds3

About 2-(2-hydroxyethyl)isoindole-5-carboxylic acid

2-(2-hydroxyethyl)isoindole-5-carboxylic acid (PubChem CID 82163606) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)isoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)isoindole-5-carboxylic acid
PubChem CID82163606
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(2-hydroxyethyl)isoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2cn(CCO)cc2c1
InChIInChI=1S/C11H11NO3/c13-4-3-12-6-9-2-1-8(11(14)15)5-10(9)7-12/h1-2,5-7,13H,3-4H2,(H,14,15)
InChIKeyWLXIQVGQQVCMFQ-UHFFFAOYSA-N
XLogP1.33
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carboxyethyl)isoindole-5-carboxylic acid
CID 82163654
2-[2-(dimethylamino)ethyl]isoindole-5-carboxylic acid
CID 82163667
2-(2-methylpropyl)isoindole-5-carboxylic acid
CID 82163612
2-[2-(4-methoxyphenoxy)ethyl]isoindole-5-carboxylic acid
CID 94778606
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
2-(2,4,4-trimethylpentan-2-yl)isoindole-5-carboxylic acid
CID 82163656
2-[(2-methoxyphenyl)methyl]isoindole-5-carboxylic acid
CID 82163637
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)isoindole-5-carboxylic acid?
The IUPAC name of 2-(2-hydroxyethyl)isoindole-5-carboxylic acid (CID 82163606) is 2-(2-hydroxyethyl)isoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)isoindole-5-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyethyl)isoindole-5-carboxylic acid is O=C(O)c1ccc2cn(CCO)cc2c1.
What is the InChIKey of 2-(2-hydroxyethyl)isoindole-5-carboxylic acid?
The InChIKey is WLXIQVGQQVCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-4-3-12-6-9-2-1-8(11(14)15)5-10(9)7-12/h1-2,5-7,13H,3-4H2,(H,14,15).
What are the key properties of 2-(2-hydroxyethyl)isoindole-5-carboxylic acid?
2-(2-hydroxyethyl)isoindole-5-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)isoindole-5-carboxylic acid is sourced from PubChem (CID 82163606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).