2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid

C15H19NO4 — CID 59281726

IUPAC2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
SMILESCCCCC(=O)N1CCc2c(OCC(=O)O)cccc21
InChIInChI=1S/C15H19NO4/c1-2-3-7-14(17)16-9-8-11-12(16)5-4-6-13(11)20-10-15(18)19/h4-6H,2-3,7-10H2,1H3,(H,18,19)
InChIKeyKGRWRRYAYFNZBA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds6

About 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid

2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid (PubChem CID 59281726) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
PubChem CID59281726
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
SMILESCCCCC(=O)N1CCc2c(OCC(=O)O)cccc21
InChIInChI=1S/C15H19NO4/c1-2-3-7-14(17)16-9-8-11-12(16)5-4-6-13(11)20-10-15(18)19/h4-6H,2-3,7-10H2,1H3,(H,18,19)
InChIKeyKGRWRRYAYFNZBA-UHFFFAOYSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 2151958
2-[(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)oxy]acetic acid
CID 84686583
2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
CID 121202435
1-pentanoyl-2,3-dihydroindole-5-carboxylic acid
CID 43217694
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
methyl 5-(4-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75523169
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
4-(6-octoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butanoic acid
CID 130293506

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid?
The IUPAC name of 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid (CID 59281726) is 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid?
The canonical SMILES for 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid is CCCCC(=O)N1CCc2c(OCC(=O)O)cccc21.
What is the InChIKey of 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid?
The InChIKey is KGRWRRYAYFNZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-3-7-14(17)16-9-8-11-12(16)5-4-6-13(11)20-10-15(18)19/h4-6H,2-3,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid?
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid is sourced from PubChem (CID 59281726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).