1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

C16H20N2O3 — CID 114548925

IUPAC1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC1CCC(NC(=O)N2c3ccccc3CC2C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c1-10-6-7-12(8-10)17-16(21)18-13-5-3-2-4-11(13)9-14(18)15(19)20/h2-5,10,12,14H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQVPCPSPCYJHVIN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds2

About 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 114548925) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID114548925
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCC1CCC(NC(=O)N2c3ccccc3CC2C(=O)O)C1
InChIInChI=1S/C16H20N2O3/c1-10-6-7-12(8-10)17-16(21)18-13-5-3-2-4-11(13)9-14(18)15(19)20/h2-5,10,12,14H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyQVPCPSPCYJHVIN-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465002
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
(2S)-1-(3-methylpentan-3-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 106330706
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465604
(2S)-1-(3-cyclopropylpropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104876622
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 114548925) is 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is CC1CCC(NC(=O)N2c3ccccc3CC2C(=O)O)C1.
What is the InChIKey of 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QVPCPSPCYJHVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-6-7-12(8-10)17-16(21)18-13-5-3-2-4-11(13)9-14(18)15(19)20/h2-5,10,12,14H,6-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 114548925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).