2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide

C11H11N3O3 — CID 43421958

IUPAC2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C11H11N3O3/c1-5(9(13)15)14-10(16)6-3-2-4-7(12)8(6)11(14)17/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyHKOGOZZAJAVRKH-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.26
Rot. Bonds2

About 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide

2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 43421958) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID43421958
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(N)=O)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C11H11N3O3/c1-5(9(13)15)14-10(16)6-3-2-4-7(12)8(6)11(14)17/h2-5H,12H2,1H3,(H2,13,15)
InChIKeyHKOGOZZAJAVRKH-UHFFFAOYSA-N
XLogP-0.26
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115569478
4-amino-2-pentan-2-ylisoindole-1,3-dione
CID 22492374
(2R)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 7473479
2-(4-amino-1,3-dioxoisoindol-2-yl)sulfonylpropanoic acid
CID 61454907
4-amino-2-[(2S)-2-amino-3-methylbutanoyl]isoindole-1,3-dione
CID 61178517
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione
CID 43682453
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926560
(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide
CID 833261
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide (CID 43421958) is 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide is CC(C(N)=O)N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is HKOGOZZAJAVRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-5(9(13)15)14-10(16)6-3-2-4-7(12)8(6)11(14)17/h2-5H,12H2,1H3,(H2,13,15).
What are the key properties of 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide?
2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 233.23 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 43421958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).