3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid

C19H17NO6 — CID 4233238

IUPAC3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2[nH]c3ccc(C(=O)O)cc3c2CC(=O)O)c1
InChIInChI=1S/C19H17NO6/c1-25-11-4-6-16(26-2)14(8-11)18-13(9-17(21)22)12-7-10(19(23)24)3-5-15(12)20-18/h3-8,20H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWPMMSHPFEOHYLH-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.18
Rot. Bonds6

About 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid

3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid (PubChem CID 4233238) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
PubChem CID4233238
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2[nH]c3ccc(C(=O)O)cc3c2CC(=O)O)c1
InChIInChI=1S/C19H17NO6/c1-25-11-4-6-16(26-2)14(8-11)18-13(9-17(21)22)12-7-10(19(23)24)3-5-15(12)20-18/h3-8,20H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyWPMMSHPFEOHYLH-UHFFFAOYSA-N
XLogP3.18
TPSA108.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-3-(carboxymethyl)-1H-indole-5-carboxylic acid
CID 3633848
2-[2-(2,5-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 4588074
2-[5-bromo-2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3257517
2-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3537628
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
2-[2-(2,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5132997
2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 4645813
2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4262212
2-[2-(2,5-dimethylphenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 3579332
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-[2-(2,4-difluorophenyl)-5-methoxy-1H-indol-3-yl]acetic acid
CID 4667197
3-(carboxymethyl)-2-naphthalen-1-yl-1H-indole-5-carboxylic acid
CID 4683567

Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid (CID 4233238) is 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid is COc1ccc(OC)c(-c2[nH]c3ccc(C(=O)O)cc3c2CC(=O)O)c1.
What is the InChIKey of 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid?
The InChIKey is WPMMSHPFEOHYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-25-11-4-6-16(26-2)14(8-11)18-13(9-17(21)22)12-7-10(19(23)24)3-5-15(12)20-18/h3-8,20H,9H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid?
3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethyl)-2-(2,5-dimethoxyphenyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 4233238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).