3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid

C17H23NO2 — CID 115106341

IUPAC3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
SMILESCC(CC1Cc2ccccc2N1CC1CCC1)C(=O)O
InChIInChI=1S/C17H23NO2/c1-12(17(19)20)9-15-10-14-7-2-3-8-16(14)18(15)11-13-5-4-6-13/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,19,20)
InChIKeyNGVMGNOJOMZQIZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.33
Rot. Bonds5

About 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid

3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid (PubChem CID 115106341) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
PubChem CID115106341
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid
SMILESCC(CC1Cc2ccccc2N1CC1CCC1)C(=O)O
InChIInChI=1S/C17H23NO2/c1-12(17(19)20)9-15-10-14-7-2-3-8-16(14)18(15)11-13-5-4-6-13/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,19,20)
InChIKeyNGVMGNOJOMZQIZ-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
2-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanol
CID 115106208
[1-(cyclopentylmethyl)-2,3-dihydroindol-2-yl]methanamine
CID 115106249
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]ethanone
CID 115106312
N-methyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propan-2-amine
CID 115106288
3-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106344
1-(cyclopropylmethyl)-2,3-dihydroindole-2-carbaldehyde
CID 115106309
2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106322
2-(2-hydroxy-2,3-dihydroindol-1-yl)acetic acid
CID 133188486
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 83870304

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid (CID 115106341) is 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid is CC(CC1Cc2ccccc2N1CC1CCC1)C(=O)O.
What is the InChIKey of 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid?
The InChIKey is NGVMGNOJOMZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(17(19)20)9-15-10-14-7-2-3-8-16(14)18(15)11-13-5-4-6-13/h2-3,7-8,12-13,15H,4-6,9-11H2,1H3,(H,19,20).
What are the key properties of 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid?
3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)-2,3-dihydroindol-2-yl]-2-methylpropanoic acid is sourced from PubChem (CID 115106341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).