2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid

C12H15NO2 — CID 117119054

IUPAC2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc2c1NCC2
InChIInChI=1S/C12H15NO2/c1-12(2,11(14)15)9-5-3-4-8-6-7-13-10(8)9/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyVYIURVFIMHGQLZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid

2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid (PubChem CID 117119054) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid
PubChem CID117119054
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc2c1NCC2
InChIInChI=1S/C12H15NO2/c1-12(2,11(14)15)9-5-3-4-8-6-7-13-10(8)9/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyVYIURVFIMHGQLZ-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-(2,3-dihydro-1H-indol-7-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 7304772
S-methyl 2,3-dihydro-1H-indole-7-carbothioate
CID 14547561
2-(2,3-dihydro-1H-indol-7-yl)-N-methylacetamide
CID 115105290
9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
CID 83672503
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butanoic acid
CID 80649501
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
CID 80649036
2-(1H-indol-4-yl)-2-methylpropanoic acid
CID 117119069
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
(4-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone
CID 13408232
7-(methylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115103899
2-(1-cyclopentyl-2,3-dihydroindol-4-yl)-2-methylpropanoic acid
CID 115115342

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid (CID 117119054) is 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccc2c1NCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid?
The InChIKey is VYIURVFIMHGQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,11(14)15)9-5-3-4-8-6-7-13-10(8)9/h3-5,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid?
2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-7-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117119054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).