5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid

C14H16N2O4 — CID 22612832

IUPAC5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid
SMILESCc1cccc2c1CN(C(CCC(N)=O)C(=O)O)C2=O
InChIInChI=1S/C14H16N2O4/c1-8-3-2-4-9-10(8)7-16(13(9)18)11(14(19)20)5-6-12(15)17/h2-4,11H,5-7H2,1H3,(H2,15,17)(H,19,20)
InChIKeyASOZXVYBNIAJDS-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.67
Rot. Bonds5

About 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid

5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid (PubChem CID 22612832) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid
PubChem CID22612832
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid
SMILESCc1cccc2c1CN(C(CCC(N)=O)C(=O)O)C2=O
InChIInChI=1S/C14H16N2O4/c1-8-3-2-4-9-10(8)7-16(13(9)18)11(14(19)20)5-6-12(15)17/h2-4,11H,5-7H2,1H3,(H2,15,17)(H,19,20)
InChIKeyASOZXVYBNIAJDS-UHFFFAOYSA-N
XLogP0.67
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid (CID 22612832) is 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid is Cc1cccc2c1CN(C(CCC(N)=O)C(=O)O)C2=O.
What is the InChIKey of 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid?
The InChIKey is ASOZXVYBNIAJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-3-2-4-9-10(8)7-16(13(9)18)11(14(19)20)5-6-12(15)17/h2-4,11H,5-7H2,1H3,(H2,15,17)(H,19,20).
What are the key properties of 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid?
5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid is sourced from PubChem (CID 22612832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).