3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid

C15H19NO3 — CID 117120626

IUPAC3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(CC(C)C(=O)O)cc2c(OC)cccc21
InChIInChI=1S/C15H19NO3/c1-4-16-11(8-10(2)15(17)18)9-12-13(16)6-5-7-14(12)19-3/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyYTJMHAVPGIBVPR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.93
Rot. Bonds5

About 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid

3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid (PubChem CID 117120626) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
PubChem CID117120626
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(CC(C)C(=O)O)cc2c(OC)cccc21
InChIInChI=1S/C15H19NO3/c1-4-16-11(8-10(2)15(17)18)9-12-13(16)6-5-7-14(12)19-3/h5-7,9-10H,4,8H2,1-3H3,(H,17,18)
InChIKeyYTJMHAVPGIBVPR-UHFFFAOYSA-N
XLogP2.93
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
3-(1-ethyl-6-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117122874
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-(1-ethyl-4-methoxyindol-2-yl)propan-2-ol
CID 117120548
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196710
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
1-benzyl-4-methoxy-2-propylindole
CID 16741747
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
CID 175749965
2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
1-ethyl-4-methoxy-2-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)indole
CID 142779879

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid (CID 117120626) is 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid is CCn1c(CC(C)C(=O)O)cc2c(OC)cccc21.
What is the InChIKey of 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid?
The InChIKey is YTJMHAVPGIBVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-16-11(8-10(2)15(17)18)9-12-13(16)6-5-7-14(12)19-3/h5-7,9-10H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid?
3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-4-methoxyindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117120626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).