4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid

C15H16N2O5 — CID 22612854

IUPAC4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid
SMILESCC(C)c1cccc2c1C(=O)N(C(CC(N)=O)C(=O)O)C2=O
InChIInChI=1S/C15H16N2O5/c1-7(2)8-4-3-5-9-12(8)14(20)17(13(9)19)10(15(21)22)6-11(16)18/h3-5,7,10H,6H2,1-2H3,(H2,16,18)(H,21,22)
InChIKeyJGYBMOPXWMVNLQ-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.73
Rot. Bonds5

About 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid

4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid (PubChem CID 22612854) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid
PubChem CID22612854
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid
SMILESCC(C)c1cccc2c1C(=O)N(C(CC(N)=O)C(=O)O)C2=O
InChIInChI=1S/C15H16N2O5/c1-7(2)8-4-3-5-9-12(8)14(20)17(13(9)19)10(15(21)22)6-11(16)18/h3-5,7,10H,6H2,1-2H3,(H2,16,18)(H,21,22)
InChIKeyJGYBMOPXWMVNLQ-UHFFFAOYSA-N
XLogP0.73
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid (CID 22612854) is 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid is CC(C)c1cccc2c1C(=O)N(C(CC(N)=O)C(=O)O)C2=O.
What is the InChIKey of 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid?
The InChIKey is JGYBMOPXWMVNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-7(2)8-4-3-5-9-12(8)14(20)17(13(9)19)10(15(21)22)6-11(16)18/h3-5,7,10H,6H2,1-2H3,(H2,16,18)(H,21,22).
What are the key properties of 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid?
4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid has a molecular weight of 304.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,3-dioxo-4-propan-2-ylisoindol-2-yl)-4-oxobutanoic acid is sourced from PubChem (CID 22612854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).