6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid

C9H9NO3 — CID 130040307

IUPAC6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid
SMILESO=C(O)C1NCc2ccc(O)cc21
InChIInChI=1S/C9H9NO3/c11-6-2-1-5-4-10-8(9(12)13)7(5)3-6/h1-3,8,10-11H,4H2,(H,12,13)
InChIKeyQFJBBBANVKFFKI-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.62
Rot. Bonds1

About 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid

6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid (PubChem CID 130040307) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid
PubChem CID130040307
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid
SMILESO=C(O)C1NCc2ccc(O)cc21
InChIInChI=1S/C9H9NO3/c11-6-2-1-5-4-10-8(9(12)13)7(5)3-6/h1-3,8,10-11H,4H2,(H,12,13)
InChIKeyQFJBBBANVKFFKI-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid?
The IUPAC name of 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid (CID 130040307) is 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid is O=C(O)C1NCc2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid?
The InChIKey is QFJBBBANVKFFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-6-2-1-5-4-10-8(9(12)13)7(5)3-6/h1-3,8,10-11H,4H2,(H,12,13).
What are the key properties of 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid?
6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid is sourced from PubChem (CID 130040307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).