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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2S)-oxolane-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 104855867
2-[1-(thiolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573955
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone
CID 63234920
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(oxolan-3-yl)methanone
CID 75921285
2-[1-(oxan-3-yl)-2,3-dihydroindol-3-yl]acetic acid
CID 107135407
2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573569
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-[1-[(1S,2R,4S,5S,6R)-8-oxatricyclo[3.2.1.02,4]octane-6-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 138055407
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660

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).