2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid

C14H19NO3 — CID 63067031

IUPAC2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
SMILESCCOC(CN1c2ccccc2CC1C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-3-18-13(14(16)17)9-15-10(2)8-11-6-4-5-7-12(11)15/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyQFZOZLDOFJQUBY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds5

About 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid

2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid (PubChem CID 63067031) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
PubChem CID63067031
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
SMILESCCOC(CN1c2ccccc2CC1C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-3-18-13(14(16)17)9-15-10(2)8-11-6-4-5-7-12(11)15/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyQFZOZLDOFJQUBY-UHFFFAOYSA-N
XLogP1.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 63531142
1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole
CID 63628082
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
methyl 2-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)but-2-enoate
CID 77101859
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603
3-(2-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-1-one
CID 62613248
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pentan-1-amine
CID 65228439
3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)but-2-enoic acid
CID 77006272
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid (CID 63067031) is 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid is CCOC(CN1c2ccccc2CC1C)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid?
The InChIKey is QFZOZLDOFJQUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-13(14(16)17)9-15-10(2)8-11-6-4-5-7-12(11)15/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid?
2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid is sourced from PubChem (CID 63067031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).