2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C21H22N2O3 — CID 167913104

IUPAC2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN1CC(CC(=O)NC2Cc3ccc(C(=O)O)cc3C2)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-23-12-16(18-4-2-3-5-19(18)23)11-20(24)22-17-9-13-6-7-14(21(25)26)8-15(13)10-17/h2-8,16-17H,9-12H2,1H3,(H,22,24)(H,25,26)
InChIKeyPHVQFLHGNSTOEX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.59
Rot. Bonds4

About 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 167913104) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID167913104
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCN1CC(CC(=O)NC2Cc3ccc(C(=O)O)cc3C2)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-23-12-16(18-4-2-3-5-19(18)23)11-20(24)22-17-9-13-6-7-14(21(25)26)8-15(13)10-17/h2-8,16-17H,9-12H2,1H3,(H,22,24)(H,25,26)
InChIKeyPHVQFLHGNSTOEX-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 167913104) is 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is CN1CC(CC(=O)NC2Cc3ccc(C(=O)O)cc3C2)c2ccccc21.
What is the InChIKey of 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is PHVQFLHGNSTOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-23-12-16(18-4-2-3-5-19(18)23)11-20(24)22-17-9-13-6-7-14(21(25)26)8-15(13)10-17/h2-8,16-17H,9-12H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 167913104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).