2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid

C19H16N2O5 — CID 101120220

IUPAC2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C19H16N2O5/c1-19(2,18(25)26)20-15(22)13-9-5-6-10-14(13)21-16(23)11-7-3-4-8-12(11)17(21)24/h3-10H,1-2H3,(H,20,22)(H,25,26)
InChIKeyZXYPFXJEFZYSAV-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.08
Rot. Bonds4

About 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid

2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid (PubChem CID 101120220) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
PubChem CID101120220
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C19H16N2O5/c1-19(2,18(25)26)20-15(22)13-9-5-6-10-14(13)21-16(23)11-7-3-4-8-12(11)17(21)24/h3-10H,1-2H3,(H,20,22)(H,25,26)
InChIKeyZXYPFXJEFZYSAV-UHFFFAOYSA-N
XLogP2.08
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120515869
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46862747
N-(2,4-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168516541
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168517830
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]carbamothioylamino]benzoic acid
CID 139229874
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
3-(2,3-dioxoindol-1-yl)-2,2-dimethylpropanoic acid
CID 79630044
3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one
CID 10801387
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid (CID 101120220) is 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O)C(=O)O.
What is the InChIKey of 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is ZXYPFXJEFZYSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-19(2,18(25)26)20-15(22)13-9-5-6-10-14(13)21-16(23)11-7-3-4-8-12(11)17(21)24/h3-10H,1-2H3,(H,20,22)(H,25,26).
What are the key properties of 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid?
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 352.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 101120220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).