2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid

C12H15NO2 — CID 83860831

IUPAC2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2ccccc2N1C
InChIInChI=1S/C12H15NO2/c1-8(12(14)15)11-7-9-5-3-4-6-10(9)13(11)2/h3-6,8,11H,7H2,1-2H3,(H,14,15)
InChIKeyATACLLRBZMVWMS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.77
Rot. Bonds2

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

2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid (PubChem CID 83860831) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
PubChem CID83860831
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2ccccc2N1C
InChIInChI=1S/C12H15NO2/c1-8(12(14)15)11-7-9-5-3-4-6-10(9)13(11)2/h3-6,8,11H,7H2,1-2H3,(H,14,15)
InChIKeyATACLLRBZMVWMS-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylpropyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 115106322
2-(1-benzyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115107312
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
ethane;1-(1-methyl-2,3-dihydroindol-2-yl)ethanone
CID 145087569
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
2-iodo-1-methyl-2,3-dihydroindole
CID 143057864
aziridin-2-one;2-[(1S)-1-hydroxyethyl]-2,3-dihydroindole-1-carboxylic acid
CID 87668440
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid
CID 98125729
(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid?
The IUPAC name of 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid (CID 83860831) is 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid.
What is the SMILES notation for 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid?
The canonical SMILES for 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid is CC(C(=O)O)C1Cc2ccccc2N1C.
What is the InChIKey of 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid?
The InChIKey is ATACLLRBZMVWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(12(14)15)11-7-9-5-3-4-6-10(9)13(11)2/h3-6,8,11H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid?
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid is sourced from PubChem (CID 83860831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).