1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid

C14H16N2O3 — CID 43309799

IUPAC1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
SMILESCCN(C)C(=O)Cn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C14H16N2O3/c1-3-15(2)13(17)9-16-8-11(14(18)19)10-6-4-5-7-12(10)16/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyGMESYSBAWUBZOA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid

1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid (PubChem CID 43309799) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
PubChem CID43309799
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
SMILESCCN(C)C(=O)Cn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C14H16N2O3/c1-3-15(2)13(17)9-16-8-11(14(18)19)10-6-4-5-7-12(10)16/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyGMESYSBAWUBZOA-UHFFFAOYSA-N
XLogP1.82
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 4248907
2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 4248908
2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
CID 66403280
1-(2-ethylsulfonylethyl)indole-3-carboxylic acid
CID 43807959
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258
N,N-diethyl-2-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]indol-1-yl]acetamide
CID 18562277
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
ethyl 4-[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 41429456
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid (CID 43309799) is 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid is CCN(C)C(=O)Cn1cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid?
The InChIKey is GMESYSBAWUBZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-15(2)13(17)9-16-8-11(14(18)19)10-6-4-5-7-12(10)16/h4-8H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid?
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid is sourced from PubChem (CID 43309799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).