4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid

C17H24N2O3 — CID 11449569

IUPAC4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid
SMILESCCCN(CCCC(=O)O)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C17H24N2O3/c1-2-9-19(10-4-7-17(21)22)11-8-13-5-3-6-15-14(13)12-16(20)18-15/h3,5-6H,2,4,7-12H2,1H3,(H,18,20)(H,21,22)
InChIKeySEBBLUKIRMJZLG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.30
Rot. Bonds9

About 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid

4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid (PubChem CID 11449569) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid
PubChem CID11449569
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid
SMILESCCCN(CCCC(=O)O)CCc1cccc2c1CC(=O)N2
InChIInChI=1S/C17H24N2O3/c1-2-9-19(10-4-7-17(21)22)11-8-13-5-3-6-15-14(13)12-16(20)18-15/h3,5-6H,2,4,7-12H2,1H3,(H,18,20)(H,21,22)
InChIKeySEBBLUKIRMJZLG-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid?
The IUPAC name of 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid (CID 11449569) is 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid.
What is the SMILES notation for 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid?
The canonical SMILES for 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid is CCCN(CCCC(=O)O)CCc1cccc2c1CC(=O)N2.
What is the InChIKey of 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid?
The InChIKey is SEBBLUKIRMJZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-9-19(10-4-7-17(21)22)11-8-13-5-3-6-15-14(13)12-16(20)18-15/h3,5-6H,2,4,7-12H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid?
4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoic acid is sourced from PubChem (CID 11449569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).