5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid

C19H25NO6 — CID 144808555

IUPAC5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCCc1[nH]c(C(=O)O)c(CCOC)c1-c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H25NO6/c1-6-13-15(11(9-10-23-2)16(20-13)19(21)22)12-7-8-14(24-3)18(26-5)17(12)25-4/h7-8,20H,6,9-10H2,1-5H3,(H,21,22)
InChIKeyGTHFSVNQVAFXSG-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.16
Rot. Bonds9

About 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid

5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 144808555) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID144808555
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
SMILESCCc1[nH]c(C(=O)O)c(CCOC)c1-c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C19H25NO6/c1-6-13-15(11(9-10-23-2)16(20-13)19(21)22)12-7-8-14(24-3)18(26-5)17(12)25-4/h7-8,20H,6,9-10H2,1-5H3,(H,21,22)
InChIKeyGTHFSVNQVAFXSG-UHFFFAOYSA-N
XLogP3.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-3-(methoxymethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 134419938
5-[(E)-methoxyiminomethyl]-3-prop-2-enyl-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 136948472
3-bromo-5-ethenyl-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 144808547
ethyl 5-(aminomethyl)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 144808510
3-acetyl-5-(methoxyiminomethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 137037401
methyl 3-(3-methoxy-3-oxoprop-1-enyl)-5-(propylaminomethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 134419890
methyl 5-(2-aminoethyl)-3-(2-methoxyethyl)-4-[2,3,4-tris(hydroxymethyl)phenyl]-1H-pyrrole-2-carboxylate
CID 122608110
[5-(2-aminoethyl)-3-chloro-4-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl] butanoate
CID 122610063
2-[7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3977556
2-(2,3,4-trimethoxyphenyl)-1H-indole-3-carboxylic acid
CID 45032309
2-[4-ethenyl-5-methyl-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]ethanamine
CID 163902113
2-[[4-bromo-5-butanoyloxy-3-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]methylamino]acetic acid
CID 122610058

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid (CID 144808555) is 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid is CCc1[nH]c(C(=O)O)c(CCOC)c1-c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is GTHFSVNQVAFXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-6-13-15(11(9-10-23-2)16(20-13)19(21)22)12-7-8-14(24-3)18(26-5)17(12)25-4/h7-8,20H,6,9-10H2,1-5H3,(H,21,22).
What are the key properties of 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid?
5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methoxyethyl)-4-(2,3,4-trimethoxyphenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 144808555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).