2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid

C13H17NO3 — CID 117200532

IUPAC2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
SMILESCCN1CC(CC(=O)O)c2c(OC)cccc21
InChIInChI=1S/C13H17NO3/c1-3-14-8-9(7-12(15)16)13-10(14)5-4-6-11(13)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQOEXYPGHBIFHFZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid

2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 117200532) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
PubChem CID117200532
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
SMILESCCN1CC(CC(=O)O)c2c(OC)cccc21
InChIInChI=1S/C13H17NO3/c1-3-14-8-9(7-12(15)16)13-10(14)5-4-6-11(13)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQOEXYPGHBIFHFZ-UHFFFAOYSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200526
1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
CID 117200472
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
2-(4-methoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82276657
3-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propanoic acid
CID 117199407
3-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117199628
3-(4-chloro-1-ethyl-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117200176
3-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2,2-dimethylpropanoic acid
CID 117200170
methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate
CID 66636862
2-[1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017371
2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578144

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid (CID 117200532) is 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid is CCN1CC(CC(=O)O)c2c(OC)cccc21.
What is the InChIKey of 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is QOEXYPGHBIFHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14-8-9(7-12(15)16)13-10(14)5-4-6-11(13)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid?
2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 117200532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).