2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid

C15H16N2O6 — CID 85274004

IUPAC2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CC1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C15H16N2O6/c18-12(16-11(15(22)23)5-6-13(19)20)7-9-8-3-1-2-4-10(8)17-14(9)21/h1-4,9,11H,5-7H2,(H,16,18)(H,17,21)(H,19,20)(H,22,23)
InChIKeyLYVJMMKGNXWUHO-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.55
Rot. Bonds7

About 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid

2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid (PubChem CID 85274004) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid
PubChem CID85274004
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CC1C(=O)Nc2ccccc21)C(=O)O
InChIInChI=1S/C15H16N2O6/c18-12(16-11(15(22)23)5-6-13(19)20)7-9-8-3-1-2-4-10(8)17-14(9)21/h1-4,9,11H,5-7H2,(H,16,18)(H,17,21)(H,19,20)(H,22,23)
InChIKeyLYVJMMKGNXWUHO-UHFFFAOYSA-N
XLogP0.55
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid (CID 85274004) is 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid is O=C(O)CCC(NC(=O)CC1C(=O)Nc2ccccc21)C(=O)O.
What is the InChIKey of 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid?
The InChIKey is LYVJMMKGNXWUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c18-12(16-11(15(22)23)5-6-13(19)20)7-9-8-3-1-2-4-10(8)17-14(9)21/h1-4,9,11H,5-7H2,(H,16,18)(H,17,21)(H,19,20)(H,22,23).
What are the key properties of 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid?
2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid has a molecular weight of 320.30 g/mol, XLogP of 0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 85274004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).