2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid

C14H16N2O4 — CID 119187853

IUPAC2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)CN1Cc2ccccc2C1=O)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-14(2,13(19)20)15-11(17)8-16-7-9-5-3-4-6-10(9)12(16)18/h3-6H,7-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyCWQJHRJLICKSRN-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid

2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid (PubChem CID 119187853) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
PubChem CID119187853
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)CN1Cc2ccccc2C1=O)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-14(2,13(19)20)15-11(17)8-16-7-9-5-3-4-6-10(9)12(16)18/h3-6H,7-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyCWQJHRJLICKSRN-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid (CID 119187853) is 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid is CC(C)(NC(=O)CN1Cc2ccccc2C1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
The InChIKey is CWQJHRJLICKSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(2,13(19)20)15-11(17)8-16-7-9-5-3-4-6-10(9)12(16)18/h3-6H,7-8H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119187853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).