3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid

C13H17NO2 — CID 83860886

IUPAC3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCc1cccc2c1N(C)C(CCC(=O)O)C2
InChIInChI=1S/C13H17NO2/c1-9-4-3-5-10-8-11(6-7-12(15)16)14(2)13(9)10/h3-5,11H,6-8H2,1-2H3,(H,15,16)
InChIKeyPABFHJRNOSPAHU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.22
Rot. Bonds3

About 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid

3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid (PubChem CID 83860886) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid
PubChem CID83860886
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCc1cccc2c1N(C)C(CCC(=O)O)C2
InChIInChI=1S/C13H17NO2/c1-9-4-3-5-10-8-11(6-7-12(15)16)14(2)13(9)10/h3-5,11H,6-8H2,1-2H3,(H,15,16)
InChIKeyPABFHJRNOSPAHU-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,7-dimethyl-2,3-dihydroindol-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

3-(4,5,6-trimethyl-2,3-dihydro-1,4-benzothiazin-3-yl)propanoic acid
CID 84639990
3-[1-(2,6-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002592
3-(7-fluoro-1-methyl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 83870304
2-(1,7-dimethyl-2,3-dihydroindol-2-yl)propan-1-amine
CID 83860874
3-[1-(2-ethyl-6-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002596
3-[1-(2-cyano-6-methylphenyl)piperidin-4-yl]propanoic acid
CID 107106077
3-(1,4-dimethyl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117198325
3-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]propanoic acid
CID 82134448
2-[[(2S)-1-methyl-2,3-dihydroindol-2-yl]methoxy]acetic acid
CID 170196802
3-(7-methyl-2,3-dioxoindol-1-yl)propanoic acid
CID 61146875
3-[(3R)-8-methoxy-1-oxo-3,4-dihydroisochromen-3-yl]propanoic acid
CID 156581341
3-[2-(2,6-dimethylphenyl)tetrazol-5-yl]propanoic acid
CID 82295200

Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid?
The IUPAC name of 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid (CID 83860886) is 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid?
The canonical SMILES for 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid is Cc1cccc2c1N(C)C(CCC(=O)O)C2.
What is the InChIKey of 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid?
The InChIKey is PABFHJRNOSPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-4-3-5-10-8-11(6-7-12(15)16)14(2)13(9)10/h3-5,11H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid?
3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethyl-2,3-dihydroindol-2-yl)propanoic acid is sourced from PubChem (CID 83860886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).