2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid

C15H21NO2 — CID 115106322

IUPAC2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
SMILESCC(C)CN1c2ccccc2CC1C(C)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(2)9-16-13-7-5-4-6-12(13)8-14(16)11(3)15(17)18/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,18)
InChIKeyFQROIDPMYVYWNX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid

2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid (PubChem CID 115106322) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
PubChem CID115106322
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
SMILESCC(C)CN1c2ccccc2CC1C(C)C(=O)O
InChIInChI=1S/C15H21NO2/c1-10(2)9-16-13-7-5-4-6-12(13)8-14(16)11(3)15(17)18/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,18)
InChIKeyFQROIDPMYVYWNX-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
2-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propanoic acid
CID 117201245
2-(1-ethyl-5-fluoro-2,3-dihydroindol-2-yl)propanoic acid
CID 117201234
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
CID 63067031
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
CID 115106341
2-(2-hydroxy-2,3-dihydroindol-1-yl)acetic acid
CID 133188486
1-(1-benzyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 115107303
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid?
The IUPAC name of 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid (CID 115106322) is 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid is CC(C)CN1c2ccccc2CC1C(C)C(=O)O.
What is the InChIKey of 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid?
The InChIKey is FQROIDPMYVYWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)9-16-13-7-5-4-6-12(13)8-14(16)11(3)15(17)18/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid?
2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid is sourced from PubChem (CID 115106322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).