3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid

C13H17NO2 — CID 115105873

IUPAC3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid
SMILESCCN1CCc2ccc(CCC(=O)O)cc21
InChIInChI=1S/C13H17NO2/c1-2-14-8-7-11-5-3-10(9-12(11)14)4-6-13(15)16/h3,5,9H,2,4,6-8H2,1H3,(H,15,16)
InChIKeySGVCAAIRGGLQGJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds4

About 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid

3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid (PubChem CID 115105873) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid
PubChem CID115105873
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid
SMILESCCN1CCc2ccc(CCC(=O)O)cc21
InChIInChI=1S/C13H17NO2/c1-2-14-8-7-11-5-3-10(9-12(11)14)4-6-13(15)16/h3,5,9H,2,4,6-8H2,1H3,(H,15,16)
InChIKeySGVCAAIRGGLQGJ-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethyl-2,3-dihydroindol-6-yl)propan-2-one
CID 115105745
3-[6-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
CID 121204257
3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid
CID 115115116
2-[6-(hydroxymethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 121204232
1-ethyl-2,3-dihydroindol-6-ol
CID 23082698
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
1-ethyl-N,N-dimethyl-2,3-dihydroindole-6-carboxamide
CID 144672537
3-[3-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]phenyl]propanoic acid
CID 122088927
3-[2-(2,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid
CID 142408143
1-ethyl-2,3-dihydroindole-6-sulfonyl chloride
CID 55279318
N-methyl-2-(1-propyl-2,3-dihydroindol-6-yl)ethanamine
CID 115105803
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid?
The IUPAC name of 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid (CID 115105873) is 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid?
The canonical SMILES for 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid is CCN1CCc2ccc(CCC(=O)O)cc21.
What is the InChIKey of 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid?
The InChIKey is SGVCAAIRGGLQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-14-8-7-11-5-3-10(9-12(11)14)4-6-13(15)16/h3,5,9H,2,4,6-8H2,1H3,(H,15,16).
What are the key properties of 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid?
3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2,3-dihydroindol-6-yl)propanoic acid is sourced from PubChem (CID 115105873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).