6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid

C16H18N2O5 — CID 4064758

IUPAC6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H18N2O5/c19-12(20)8-2-1-5-9-17-16(23)14(21)13-10-6-3-4-7-11(10)18-15(13)22/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,23)(H,18,22)(H,19,20)
InChIKeyGUDLQILZULCIHU-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.05
Rot. Bonds8

About 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid

6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid (PubChem CID 4064758) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid
PubChem CID4064758
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H18N2O5/c19-12(20)8-2-1-5-9-17-16(23)14(21)13-10-6-3-4-7-11(10)18-15(13)22/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,23)(H,18,22)(H,19,20)
InChIKeyGUDLQILZULCIHU-UHFFFAOYSA-N
XLogP1.05
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid (CID 4064758) is 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21.
What is the InChIKey of 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid?
The InChIKey is GUDLQILZULCIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-12(20)8-2-1-5-9-17-16(23)14(21)13-10-6-3-4-7-11(10)18-15(13)22/h3-4,6-7,13H,1-2,5,8-9H2,(H,17,23)(H,18,22)(H,19,20).
What are the key properties of 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid?
6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 4064758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).