2-(1-hydroxyisoindol-2-yl)pentanedioic acid

C13H13NO5 — CID 54375397

IUPAC2-(1-hydroxyisoindol-2-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)n1cc2ccccc2c1O
InChIInChI=1S/C13H13NO5/c15-11(16)6-5-10(13(18)19)14-7-8-3-1-2-4-9(8)12(14)17/h1-4,7,10,17H,5-6H2,(H,15,16)(H,18,19)
InChIKeyUWDCTVWIZGFOKE-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.84
Rot. Bonds5

About 2-(1-hydroxyisoindol-2-yl)pentanedioic acid

2-(1-hydroxyisoindol-2-yl)pentanedioic acid (PubChem CID 54375397) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(1-hydroxyisoindol-2-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(1-hydroxyisoindol-2-yl)pentanedioic acid
PubChem CID54375397
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-(1-hydroxyisoindol-2-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)n1cc2ccccc2c1O
InChIInChI=1S/C13H13NO5/c15-11(16)6-5-10(13(18)19)14-7-8-3-1-2-4-9(8)12(14)17/h1-4,7,10,17H,5-6H2,(H,15,16)(H,18,19)
InChIKeyUWDCTVWIZGFOKE-UHFFFAOYSA-N
XLogP1.84
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyisoindol-2-yl)pentanedioic acid?
The IUPAC name of 2-(1-hydroxyisoindol-2-yl)pentanedioic acid (CID 54375397) is 2-(1-hydroxyisoindol-2-yl)pentanedioic acid.
What is the SMILES notation for 2-(1-hydroxyisoindol-2-yl)pentanedioic acid?
The canonical SMILES for 2-(1-hydroxyisoindol-2-yl)pentanedioic acid is O=C(O)CCC(C(=O)O)n1cc2ccccc2c1O.
What is the InChIKey of 2-(1-hydroxyisoindol-2-yl)pentanedioic acid?
The InChIKey is UWDCTVWIZGFOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-11(16)6-5-10(13(18)19)14-7-8-3-1-2-4-9(8)12(14)17/h1-4,7,10,17H,5-6H2,(H,15,16)(H,18,19).
What are the key properties of 2-(1-hydroxyisoindol-2-yl)pentanedioic acid?
2-(1-hydroxyisoindol-2-yl)pentanedioic acid has a molecular weight of 263.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyisoindol-2-yl)pentanedioic acid is sourced from PubChem (CID 54375397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).