2-(1-benzylindol-3-yl)acetic acid

C17H15NO2 — CID 11010889

IUPAC2-(1-benzylindol-3-yl)acetic acid
SMILESO=C(O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2/c19-17(20)10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,10-11H2,(H,19,20)
InChIKeyIJQCTDRIUVFCMB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.32
Rot. Bonds4

About 2-(1-benzylindol-3-yl)acetic acid

2-(1-benzylindol-3-yl)acetic acid (PubChem CID 11010889) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)acetic acid
PubChem CID11010889
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(1-benzylindol-3-yl)acetic acid
SMILESO=C(O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO2/c19-17(20)10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,10-11H2,(H,19,20)
InChIKeyIJQCTDRIUVFCMB-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
Indole-3-pyruvic acid
CID 803
Indoximod
CID 405012
Methyl indole-3-acetate
CID 74706
4-Chloroindole-3-acetic acid
CID 100413
1-Methyl-L-tryptophan
CID 676159
Aleplasinin
CID 10224267

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)acetic acid?
The IUPAC name of 2-(1-benzylindol-3-yl)acetic acid (CID 11010889) is 2-(1-benzylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzylindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzylindol-3-yl)acetic acid is O=C(O)Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(1-benzylindol-3-yl)acetic acid?
The InChIKey is IJQCTDRIUVFCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(20)10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,10-11H2,(H,19,20).
What are the key properties of 2-(1-benzylindol-3-yl)acetic acid?
2-(1-benzylindol-3-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)acetic acid is sourced from PubChem (CID 11010889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).