2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid

C12H10N2O5 — CID 94831603

IUPAC2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C12H10N2O5/c1-6(15)13-7-2-3-8-9(4-7)12(19)14(11(8)18)5-10(16)17/h2-4H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyBCJYDBBXCGWOCB-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.33
Rot. Bonds3

About 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid

2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid (PubChem CID 94831603) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid
PubChem CID94831603
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C12H10N2O5/c1-6(15)13-7-2-3-8-9(4-7)12(19)14(11(8)18)5-10(16)17/h2-4H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyBCJYDBBXCGWOCB-UHFFFAOYSA-N
XLogP0.33
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.33
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

N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
CID 100916426
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide
CID 23938154
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(3,4-dimethylphenyl)acetamide
CID 113201521
2-[5-(methanesulfonamidomethyl)-1,3-dioxoisoindol-2-yl]acetic acid
CID 86681755
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
N-(6,7-dihydroxy-5,8-dioxonaphthalen-2-yl)acetamide
CID 135839434
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554687
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
3-[5-[(2-methylfuran-3-carbonyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid
CID 17359001
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid?
The IUPAC name of 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid (CID 94831603) is 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid?
The canonical SMILES for 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid is CC(=O)Nc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O.
What is the InChIKey of 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid?
The InChIKey is BCJYDBBXCGWOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-6(15)13-7-2-3-8-9(4-7)12(19)14(11(8)18)5-10(16)17/h2-4H,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid?
2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid has a molecular weight of 262.22 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid is sourced from PubChem (CID 94831603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).