2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid

C22H20N2O5 — CID 91257622

IUPAC2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid
SMILESO=C(O)COc1ccc2[nH]cc(CCc3c[nH]c4ccc(CC(=O)O)cc34)c2c1
InChIInChI=1S/C22H20N2O5/c25-21(26)8-13-1-5-19-17(7-13)14(10-23-19)2-3-15-11-24-20-6-4-16(9-18(15)20)29-12-22(27)28/h1,4-7,9-11,23-24H,2-3,8,12H2,(H,25,26)(H,27,28)
InChIKeyIDQSWGORINOWDM-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.52
Rot. Bonds8

About 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid

2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid (PubChem CID 91257622) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid
PubChem CID91257622
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid
SMILESO=C(O)COc1ccc2[nH]cc(CCc3c[nH]c4ccc(CC(=O)O)cc34)c2c1
InChIInChI=1S/C22H20N2O5/c25-21(26)8-13-1-5-19-17(7-13)14(10-23-19)2-3-15-11-24-20-6-4-16(9-18(15)20)29-12-22(27)28/h1,4-7,9-11,23-24H,2-3,8,12H2,(H,25,26)(H,27,28)
InChIKeyIDQSWGORINOWDM-UHFFFAOYSA-N
XLogP3.52
TPSA115.41 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(2S)-3-methoxy-2-methyl-3-oxopropyl]-1H-indol-5-yl]oxy]acetic acid
CID 59909911
2-[4-[(3-butyl-1H-indol-5-yl)oxy]-3-chloro-5-methylphenoxy]acetic acid
CID 22669547
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
CID 22669811
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-(5-butoxy-1H-indol-3-yl)acetic acid;methyl 2-(5-butoxy-1H-indol-3-yl)acetate
CID 158449887
2-[4-[(3-hexyl-1H-indol-5-yl)oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669793
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
CID 82622241
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
2-[4-[[benzenesulfonyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]methyl]-2-(carboxymethoxy)phenoxy]acetic acid
CID 11433036
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669727
2-[3-methyl-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669490

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid?
The IUPAC name of 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid (CID 91257622) is 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid is O=C(O)COc1ccc2[nH]cc(CCc3c[nH]c4ccc(CC(=O)O)cc34)c2c1.
What is the InChIKey of 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid?
The InChIKey is IDQSWGORINOWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-21(26)8-13-1-5-19-17(7-13)14(10-23-19)2-3-15-11-24-20-6-4-16(9-18(15)20)29-12-22(27)28/h1,4-7,9-11,23-24H,2-3,8,12H2,(H,25,26)(H,27,28).
What are the key properties of 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid?
2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid has a molecular weight of 392.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[5-(carboxymethoxy)-1H-indol-3-yl]ethyl]-1H-indol-5-yl]acetic acid is sourced from PubChem (CID 91257622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).