1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid

C9H9NO3 — CID 178078073

IUPAC1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid
SMILESO=C(O)C1(O)NCc2ccccc21
InChIInChI=1S/C9H9NO3/c11-8(12)9(13)7-4-2-1-3-6(7)5-10-9/h1-4,10,13H,5H2,(H,11,12)
InChIKeyOHKIXDBRMHQYGT-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.02
Rot. Bonds1

About 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid

1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid (PubChem CID 178078073) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid
PubChem CID178078073
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid
SMILESO=C(O)C1(O)NCc2ccccc21
InChIInChI=1S/C9H9NO3/c11-8(12)9(13)7-4-2-1-3-6(7)5-10-9/h1-4,10,13H,5H2,(H,11,12)
InChIKeyOHKIXDBRMHQYGT-UHFFFAOYSA-N
XLogP0.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2,3-dihydroisoindol-1-ol
CID 154123924
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
4,4-dichloro-2,3-dihydro-1H-isoquinoline-3-carboxylic acid
CID 140763138
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
1-methyl-2,3-dihydroisoindole-1-carbaldehyde
CID 174709003
1-fluoro-3H-2-benzofuran-1-carboxylic acid
CID 70573707
1-(cyclopropanecarbonyl)-3,4-dihydro-2H-isoquinoline-1-carboxylic acid
CID 134330861
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
2-[(2-hydroxy-2,3,4,4a,5,6-hexahydro-1H-phenanthridin-10b-yl)oxy]-2-oxoacetic acid
CID 68682862
1-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydroisoindole-1-carboxamide
CID 175935877
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid?
The IUPAC name of 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid (CID 178078073) is 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid is O=C(O)C1(O)NCc2ccccc21.
What is the InChIKey of 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid?
The InChIKey is OHKIXDBRMHQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8(12)9(13)7-4-2-1-3-6(7)5-10-9/h1-4,10,13H,5H2,(H,11,12).
What are the key properties of 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid?
1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid is sourced from PubChem (CID 178078073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).