(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

C15H19N3O3 — CID 61465002

IUPAC(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN1CCC(NC(=O)N2c3ccccc3C[C@H]2C(=O)O)C1
InChIInChI=1S/C15H19N3O3/c1-17-7-6-11(9-17)16-15(21)18-12-5-3-2-4-10(12)8-13(18)14(19)20/h2-5,11,13H,6-9H2,1H3,(H,16,21)(H,19,20)/t11?,13-/m0/s1
InChIKeyOPPRXFBHARMIBC-YUZLPWPTSA-N
MW289.33 g/mol
LogP0.92
Rot. Bonds2

About (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid

(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61465002) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID61465002
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCN1CCC(NC(=O)N2c3ccccc3C[C@H]2C(=O)O)C1
InChIInChI=1S/C15H19N3O3/c1-17-7-6-11(9-17)16-15(21)18-12-5-3-2-4-10(12)8-13(18)14(19)20/h2-5,11,13H,6-9H2,1H3,(H,16,21)(H,19,20)/t11?,13-/m0/s1
InChIKeyOPPRXFBHARMIBC-YUZLPWPTSA-N
XLogP0.92
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylcyclopentyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 114548925
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(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
N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112824331
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
(2S)-1-(3-methylpentan-3-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 106330706
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
(2S)-1-(1-methylsulfanylbutan-2-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104867149
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 61465002) is (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is CN1CCC(NC(=O)N2c3ccccc3C[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is OPPRXFBHARMIBC-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-7-6-11(9-17)16-15(21)18-12-5-3-2-4-10(12)8-13(18)14(19)20/h2-5,11,13H,6-9H2,1H3,(H,16,21)(H,19,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61465002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).