2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid

C13H11NO7 — CID 6454915

IUPAC2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C13H11NO7/c15-6-1-2-7-8(5-6)12(19)14(11(7)18)9(13(20)21)3-4-10(16)17/h1-2,5,9,15H,3-4H2,(H,16,17)(H,20,21)
InChIKeyRDVIGUDHFHRUKP-UHFFFAOYSA-N
MW293.23 g/mol
LogP0.31
Rot. Bonds5

About 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid

2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid (PubChem CID 6454915) has the molecular formula C13H11NO7 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid
PubChem CID6454915
Molecular FormulaC13H11NO7
Molecular Weight293.23 g/mol
Exact Mass293.05
IUPAC Name2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C13H11NO7/c15-6-1-2-7-8(5-6)12(19)14(11(7)18)9(13(20)21)3-4-10(16)17/h1-2,5,9,15H,3-4H2,(H,16,17)(H,20,21)
InChIKeyRDVIGUDHFHRUKP-UHFFFAOYSA-N
XLogP0.31
TPSA132.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)-3-(4-hydroxyphenyl)propanoic acid
CID 233006
5-Hydroxythalidomide
CID 5743568
(S)-2-(2,6-Dioxopiperidin-3-yl)-5-hydroxyisoindoline-1,3-dione
CID 44250311
2-[(1R)-1-Carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid
CID 7013169
3-(5-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-(6-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517903
5-hydroxy-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 10702443
2H-Isoindole-2-acetic acid, alpha-(3-amino-3-oxopropyl)-1,3-dihydro-5-hydroxy-1,3-dioxo-
CID 254339
[5-(4-methylphenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid
CID 753410
5-Hydroxyisoindoline-1,3-dione
CID 10558950
2-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 7013167
1,3-Dihydro-beta-(3-hydroxyphenyl)-1-oxo-2H-isoindole-2-propanoic acid
CID 2766025

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid?
The IUPAC name of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid (CID 6454915) is 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid.
What is the SMILES notation for 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid?
The canonical SMILES for 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid is O=C(O)CCC(C(=O)O)N1C(=O)c2ccc(O)cc2C1=O.
What is the InChIKey of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid?
The InChIKey is RDVIGUDHFHRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO7/c15-6-1-2-7-8(5-6)12(19)14(11(7)18)9(13(20)21)3-4-10(16)17/h1-2,5,9,15H,3-4H2,(H,16,17)(H,20,21).
What are the key properties of 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid?
2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid has a molecular weight of 293.23 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1,3-dioxoisoindol-2-yl)pentanedioic acid is sourced from PubChem (CID 6454915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).