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

C15H17NO4 — CID 80573868

IUPAC2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCOC2)c2ccccc21
InChIInChI=1S/C15H17NO4/c17-14(18)7-11-8-16(13-4-2-1-3-12(11)13)15(19)10-5-6-20-9-10/h1-4,10-11H,5-9H2,(H,17,18)
InChIKeyVNKZRBSGVGYGDO-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.63
Rot. Bonds3

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

2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80573868) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80573868
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CCOC2)c2ccccc21
InChIInChI=1S/C15H17NO4/c17-14(18)7-11-8-16(13-4-2-1-3-12(11)13)15(19)10-5-6-20-9-10/h1-4,10-11H,5-9H2,(H,17,18)
InChIKeyVNKZRBSGVGYGDO-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80573868) is 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid is O=C(O)CC1CN(C(=O)C2CCOC2)c2ccccc21.
What is the InChIKey of 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is VNKZRBSGVGYGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14(18)7-11-8-16(13-4-2-1-3-12(11)13)15(19)10-5-6-20-9-10/h1-4,10-11H,5-9H2,(H,17,18).
What are the key properties of 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 275.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80573868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).