2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid

C17H25NO3 — CID 83035099

IUPAC2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid
SMILESCCCNC1CCc2c(OC(CCC)C(=O)O)cccc21
InChIInChI=1S/C17H25NO3/c1-3-6-16(17(19)20)21-15-8-5-7-12-13(15)9-10-14(12)18-11-4-2/h5,7-8,14,16,18H,3-4,6,9-11H2,1-2H3,(H,19,20)
InChIKeyBMOWIZUENAGNJG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.31
Rot. Bonds8

About 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid

2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid (PubChem CID 83035099) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid
PubChem CID83035099
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid
SMILESCCCNC1CCc2c(OC(CCC)C(=O)O)cccc21
InChIInChI=1S/C17H25NO3/c1-3-6-16(17(19)20)21-15-8-5-7-12-13(15)9-10-14(12)18-11-4-2/h5,7-8,14,16,18H,3-4,6,9-11H2,1-2H3,(H,19,20)
InChIKeyBMOWIZUENAGNJG-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid?
The IUPAC name of 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid (CID 83035099) is 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid.
What is the SMILES notation for 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid?
The canonical SMILES for 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid is CCCNC1CCc2c(OC(CCC)C(=O)O)cccc21.
What is the InChIKey of 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid?
The InChIKey is BMOWIZUENAGNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-6-16(17(19)20)21-15-8-5-7-12-13(15)9-10-14(12)18-11-4-2/h5,7-8,14,16,18H,3-4,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid?
2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid is sourced from PubChem (CID 83035099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).