2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid

C13H13NO6 — CID 10612680

IUPAC2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)N1Cc2ccc(O)cc2C1=O
InChIInChI=1S/C13H13NO6/c15-8-2-1-7-6-14(12(18)9(7)5-8)10(13(19)20)3-4-11(16)17/h1-2,5,10,15H,3-4,6H2,(H,16,17)(H,19,20)
InChIKeyPAOUWJDWZAMJPU-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.67
Rot. Bonds5

About 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid

2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid (PubChem CID 10612680) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid
PubChem CID10612680
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid
SMILESO=C(O)CCC(C(=O)O)N1Cc2ccc(O)cc2C1=O
InChIInChI=1S/C13H13NO6/c15-8-2-1-7-6-14(12(18)9(7)5-8)10(13(19)20)3-4-11(16)17/h1-2,5,10,15H,3-4,6H2,(H,16,17)(H,19,20)
InChIKeyPAOUWJDWZAMJPU-UHFFFAOYSA-N
XLogP0.67
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
methyl 3-(4-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 3628799
2-[1-Carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxoisoindoline-5-carboxylic acid
CID 3239413

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid?
The IUPAC name of 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid (CID 10612680) is 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid.
What is the SMILES notation for 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid?
The canonical SMILES for 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid is O=C(O)CCC(C(=O)O)N1Cc2ccc(O)cc2C1=O.
What is the InChIKey of 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid?
The InChIKey is PAOUWJDWZAMJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c15-8-2-1-7-6-14(12(18)9(7)5-8)10(13(19)20)3-4-11(16)17/h1-2,5,10,15H,3-4,6H2,(H,16,17)(H,19,20).
What are the key properties of 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid?
2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid has a molecular weight of 279.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3-oxo-1H-isoindol-2-yl)pentanedioic acid is sourced from PubChem (CID 10612680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).