2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid

C15H19NO3 — CID 107135407

IUPAC2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCCOC2)c2ccccc21
InChIInChI=1S/C15H19NO3/c17-15(18)8-11-9-16(12-4-3-7-19-10-12)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,18)
InChIKeyZRYIPEUWLWDIQQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds3

About 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 107135407) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID107135407
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCCOC2)c2ccccc21
InChIInChI=1S/C15H19NO3/c17-15(18)8-11-9-16(12-4-3-7-19-10-12)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,18)
InChIKeyZRYIPEUWLWDIQQ-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid (CID 107135407) is 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid is O=C(O)CC1CN(C2CCCOC2)c2ccccc21.
What is the InChIKey of 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is ZRYIPEUWLWDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)8-11-9-16(12-4-3-7-19-10-12)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,18).
What are the key properties of 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 107135407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).