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

C13H17NO3 — CID 117199204

IUPAC2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2cccc(OC)c2CC1CC(=O)O
InChIInChI=1S/C13H17NO3/c1-3-14-9(8-13(15)16)7-10-11(14)5-4-6-12(10)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyCPDGDEMUPTWCRX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.92
Rot. Bonds4

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

2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid (PubChem CID 117199204) 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-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
PubChem CID117199204
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
SMILESCCN1c2cccc(OC)c2CC1CC(=O)O
InChIInChI=1S/C13H17NO3/c1-3-14-9(8-13(15)16)7-10-11(14)5-4-6-12(10)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyCPDGDEMUPTWCRX-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)acetic acid
CID 117198847
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
3-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117199191
1-ethyl-4-methoxy-2-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117199152
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199116
2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200532
2-(1-ethyl-5-hydroxy-2,3-dihydroindol-2-yl)acetic acid
CID 117201541
1-[(2S)-2-aminobutanoyl]-4-methoxy-2,3-dihydroindole-2-carboxylic acid
CID 69490051
2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371256
1-ethyl-4,6-dimethoxy-2,3-dihydroindole-2-carboxylic acid
CID 150796439
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid (CID 117199204) is 2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid is CCN1c2cccc(OC)c2CC1CC(=O)O.
What is the InChIKey of 2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid?
The InChIKey is CPDGDEMUPTWCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-14-9(8-13(15)16)7-10-11(14)5-4-6-12(10)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-2-yl)acetic acid?
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.92, 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-2-yl)acetic acid is sourced from PubChem (CID 117199204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).