1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid

C12H14N2O3 — CID 80565760

IUPAC1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCNC(=O)CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c1-13-11(15)7-14-6-9(12(16)17)8-4-2-3-5-10(8)14/h2-5,9H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyLYEPPTHTTAYXSN-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.42
Rot. Bonds3

About 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565760) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565760
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCNC(=O)CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c1-13-11(15)7-14-6-9(12(16)17)8-4-2-3-5-10(8)14/h2-5,9H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyLYEPPTHTTAYXSN-UHFFFAOYSA-N
XLogP0.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563519
1-[2-(cyclopentylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563640
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
1-[(E)-3-phenylprop-2-enyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563415
1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565332
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
1-(3-methylsulfonylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565784
1-(4-cyanobutyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565678
1-[(4-iodophenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565810
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid (CID 80565760) is 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid is CNC(=O)CN1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is LYEPPTHTTAYXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-11(15)7-14-6-9(12(16)17)8-4-2-3-5-10(8)14/h2-5,9H,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).