3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid

C15H21NO2 — CID 115105715

IUPAC3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid
SMILESCC(C)CN1CCc2cccc(CCC(=O)O)c21
InChIInChI=1S/C15H21NO2/c1-11(2)10-16-9-8-13-5-3-4-12(15(13)16)6-7-14(17)18/h3-5,11H,6-10H2,1-2H3,(H,17,18)
InChIKeyDJSSODBFWUFVJN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds5

About 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid

3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid (PubChem CID 115105715) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid
PubChem CID115105715
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid
SMILESCC(C)CN1CCc2cccc(CCC(=O)O)c21
InChIInChI=1S/C15H21NO2/c1-11(2)10-16-9-8-13-5-3-4-12(15(13)16)6-7-14(17)18/h3-5,11H,6-10H2,1-2H3,(H,17,18)
InChIKeyDJSSODBFWUFVJN-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1-(2-methylpropyl)-2,3-dihydroindole
CID 174365784
3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid
CID 117118529
2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid
CID 115105698
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468
3-(1-benzyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
CID 115107241
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propanoic acid
CID 82389702
3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid
CID 115105719
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149
1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
CID 115107224
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-6-yl)propanoic acid
CID 105493043
2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one
CID 20772326

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid?
The IUPAC name of 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid (CID 115105715) is 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid is CC(C)CN1CCc2cccc(CCC(=O)O)c21.
What is the InChIKey of 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid?
The InChIKey is DJSSODBFWUFVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)10-16-9-8-13-5-3-4-12(15(13)16)6-7-14(17)18/h3-5,11H,6-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid?
3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)-2,3-dihydroindol-7-yl]propanoic acid is sourced from PubChem (CID 115105715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).