3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid

C14H19NO3 — CID 117199116

IUPAC3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCOc1cccc2c1CC(CC(C)C(=O)O)N2C
InChIInChI=1S/C14H19NO3/c1-9(14(16)17)7-10-8-11-12(15(10)2)5-4-6-13(11)18-3/h4-6,9-10H,7-8H2,1-3H3,(H,16,17)
InChIKeyZAWDVXUNNKZSCN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds4

About 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid

3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (PubChem CID 117199116) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
PubChem CID117199116
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCOc1cccc2c1CC(CC(C)C(=O)O)N2C
InChIInChI=1S/C14H19NO3/c1-9(14(16)17)7-10-8-11-12(15(10)2)5-4-6-13(11)18-3/h4-6,9-10H,7-8H2,1-3H3,(H,16,17)
InChIKeyZAWDVXUNNKZSCN-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117198727
3-(4-methoxy-2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117199032
3-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117198928
2-(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)acetic acid
CID 117199204
3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 83870304
1-(4-chloro-1-methyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117198684
(1-ethyl-4-methoxy-2,3-dihydroindol-2-yl)methanamine
CID 117199162
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
1-[(2S)-2-aminobutanoyl]-4-methoxy-2,3-dihydroindole-2-carboxylic acid
CID 69490051
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
(3S)-3-amino-1-hydroxy-5-methoxy-3,4-dihydroquinolin-2-one
CID 59627133
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (CID 117199116) is 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is COc1cccc2c1CC(CC(C)C(=O)O)N2C.
What is the InChIKey of 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The InChIKey is ZAWDVXUNNKZSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(14(16)17)7-10-8-11-12(15(10)2)5-4-6-13(11)18-3/h4-6,9-10H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117199116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).