1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid

C13H16N2O3 — CID 113382483

IUPAC1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid
SMILESCNC(=O)C(C)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H16N2O3/c1-8(12(16)14-2)15-6-5-9-3-4-10(13(17)18)7-11(9)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMOWDMBMHVPVIJZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.88
Rot. Bonds3

About 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid

1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid (PubChem CID 113382483) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid
PubChem CID113382483
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid
SMILESCNC(=O)C(C)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H16N2O3/c1-8(12(16)14-2)15-6-5-9-3-4-10(13(17)18)7-11(9)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMOWDMBMHVPVIJZ-UHFFFAOYSA-N
XLogP0.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-(methylsulfamoyl)-2,3-dihydroindole-6-carboxylic acid
CID 114807060
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382494
1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindole-6-carboxylic acid
CID 106454812
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
1-N-methyl-6-N-phenyl-2,3-dihydroindole-1,6-dicarboxamide
CID 53014628
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid (CID 113382483) is 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid is CNC(=O)C(C)N1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is MOWDMBMHVPVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(12(16)14-2)15-6-5-9-3-4-10(13(17)18)7-11(9)15/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid?
1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 113382483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).