1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid

C17H15NO3 — CID 80563027

IUPAC1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO3/c19-16(10-12-6-2-1-3-7-12)18-11-14(17(20)21)13-8-4-5-9-15(13)18/h1-9,14H,10-11H2,(H,20,21)
InChIKeyYVAUJERJYLOOQM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.44
Rot. Bonds3

About 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid

1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80563027) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80563027
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C17H15NO3/c19-16(10-12-6-2-1-3-7-12)18-11-14(17(20)21)13-8-4-5-9-15(13)18/h1-9,14H,10-11H2,(H,20,21)
InChIKeyYVAUJERJYLOOQM-UHFFFAOYSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691679
1-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 136549512
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564111
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691732
(3R)-1-[(2R)-2-phenylmethoxypropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 125140823
1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691292
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid (CID 80563027) is 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is YVAUJERJYLOOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(10-12-6-2-1-3-7-12)18-11-14(17(20)21)13-8-4-5-9-15(13)18/h1-9,14H,10-11H2,(H,20,21).
What are the key properties of 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80563027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).