2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid

C12H15NO2 — CID 117198318

IUPAC2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCc1cccc2c1CC(C(C)C(=O)O)N2
InChIInChI=1S/C12H15NO2/c1-7-4-3-5-10-9(7)6-11(13-10)8(2)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)
InChIKeyHRCGZHTVILLXQO-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.05
Rot. Bonds2

About 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid

2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid (PubChem CID 117198318) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
PubChem CID117198318
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCc1cccc2c1CC(C(C)C(=O)O)N2
InChIInChI=1S/C12H15NO2/c1-7-4-3-5-10-9(7)6-11(13-10)8(2)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)
InChIKeyHRCGZHTVILLXQO-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198704
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 127264904
5-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 22639040
2-(7-methoxy-4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 83860546
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198293
2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 89069978
(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
CID 124706639
2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 117202955
2-methyl-3-(4-methyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 117199572
3-(4-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
CID 117198716
N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine
CID 117198308

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid (CID 117198318) is 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid is Cc1cccc2c1CC(C(C)C(=O)O)N2.
What is the InChIKey of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The InChIKey is HRCGZHTVILLXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-4-3-5-10-9(7)6-11(13-10)8(2)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid?
2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 117198318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).