2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid

C18H14N2O6 — CID 108764244

IUPAC2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(O)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H14N2O6/c21-14-6-5-10(8-16(23)24)7-13(14)19-15(22)9-20-17(25)11-3-1-2-4-12(11)18(20)26/h1-7,21H,8-9H2,(H,19,22)(H,23,24)
InChIKeyVSMBKKZPNUFXEN-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.25
Rot. Bonds5

About 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid

2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid (PubChem CID 108764244) has the molecular formula C18H14N2O6 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid
PubChem CID108764244
Molecular FormulaC18H14N2O6
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Name2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(O)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H14N2O6/c21-14-6-5-10(8-16(23)24)7-13(14)19-15(22)9-20-17(25)11-3-1-2-4-12(11)18(20)26/h1-7,21H,8-9H2,(H,19,22)(H,23,24)
InChIKeyVSMBKKZPNUFXEN-UHFFFAOYSA-N
XLogP1.25
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic 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-isoindol-2-yl)-N-(3-hydroxy-phenyl)-acetamide
CID 741524
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
CID 976485
2-Isoindolineacetic acid, 1,3-dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-
CID 52641
3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide
CID 17385733
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(3-hydroxyphenyl)propanamide
CID 699188
N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 976324
N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1340719
6-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)hexanamide
CID 1572660
2-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)-4-methylpentanamide
CID 2830657
4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoic acid
CID 3243490
2-(2-(((S)-1-(3-(4-hydroxybenzyl)-5-((S)-2-amino-3-methylbutanamido)benzoyl)pyrrolidine-2-carboxamido)methyl)phenyl)acetic acid
CID 44560403
2-(2-(((S)-1-(3-(4-hydroxybenzyl)-5-((S)-2-aminohexanamido)benzoyl)pyrrolidine-2-carboxamido)methyl)phenyl)acetic acid
CID 44560405

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid (CID 108764244) is 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid is O=C(O)Cc1ccc(O)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid?
The InChIKey is VSMBKKZPNUFXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O6/c21-14-6-5-10(8-16(23)24)7-13(14)19-15(22)9-20-17(25)11-3-1-2-4-12(11)18(20)26/h1-7,21H,8-9H2,(H,19,22)(H,23,24).
What are the key properties of 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid?
2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid has a molecular weight of 354.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid is sourced from PubChem (CID 108764244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).