2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid

C16H20N2O2 — CID 82488583

IUPAC2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
SMILESCc1c(C(C(=O)O)N2CCCC2)c2ccccc2n1C
InChIInChI=1S/C16H20N2O2/c1-11-14(12-7-3-4-8-13(12)17(11)2)15(16(19)20)18-9-5-6-10-18/h3-4,7-8,15H,5-6,9-10H2,1-2H3,(H,19,20)
InChIKeyPTTBESAEPODOPO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.71
Rot. Bonds3

About 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid

2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 82488583) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
PubChem CID82488583
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
SMILESCc1c(C(C(=O)O)N2CCCC2)c2ccccc2n1C
InChIInChI=1S/C16H20N2O2/c1-11-14(12-7-3-4-8-13(12)17(11)2)15(16(19)20)18-9-5-6-10-18/h3-4,7-8,15H,5-6,9-10H2,1-2H3,(H,19,20)
InChIKeyPTTBESAEPODOPO-UHFFFAOYSA-N
XLogP2.71
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic 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-[(R)-carboxy-(4-methylpiperazin-1-yl)methyl]-1-methylindole-2-carboxylic acid
CID 51721321
2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
CID 82483496
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylacetic acid
CID 84744024
3-cyclobutyl-3-(1,2-dimethylindol-3-yl)propanoic acid
CID 82277340
3-[(S)-carboxy-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methyl]-1-methylindole-2-carboxylic acid
CID 51721136
3-[(S)-carboxy-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methyl]-1-methylindole-2-carboxylic acid
CID 51720080
2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
CID 43803532
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
2-(1,2-dimethylindol-3-yl)-N-(4-methylphenyl)-2-(2-oxoazetidin-1-yl)acetamide
CID 3318707
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid (CID 82488583) is 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid is Cc1c(C(C(=O)O)N2CCCC2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is PTTBESAEPODOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-14(12-7-3-4-8-13(12)17(11)2)15(16(19)20)18-9-5-6-10-18/h3-4,7-8,15H,5-6,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid?
2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 272.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 82488583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).