3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid

C15H18N2O4 — CID 82214123

IUPAC3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid
SMILESCOCC(=O)NCc1c(C(=O)O)[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C15H18N2O4/c1-8-4-9(2)13-10(6-16-12(18)7-21-3)14(15(19)20)17-11(13)5-8/h4-5,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyGKUZYKTVBULGCD-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.75
Rot. Bonds5

About 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid

3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid (PubChem CID 82214123) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid
PubChem CID82214123
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid
SMILESCOCC(=O)NCc1c(C(=O)O)[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C15H18N2O4/c1-8-4-9(2)13-10(6-16-12(18)7-21-3)14(15(19)20)17-11(13)5-8/h4-5,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyGKUZYKTVBULGCD-UHFFFAOYSA-N
XLogP1.75
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 84622568
5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214108
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
5-methyl-3-[(3-methylbutanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 82214134
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471213
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335151
5-methyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214142
4,6-dichloro-3-[(2-methylpropanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 82214061
2-amino-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 82126466
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
2-chloro-4,6-dimethyl-1H-indole-3-carboxylic acid
CID 82269122

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid?
The IUPAC name of 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid (CID 82214123) is 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid is COCC(=O)NCc1c(C(=O)O)[nH]c2cc(C)cc(C)c12.
What is the InChIKey of 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid?
The InChIKey is GKUZYKTVBULGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-8-4-9(2)13-10(6-16-12(18)7-21-3)14(15(19)20)17-11(13)5-8/h4-5,17H,6-7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid?
3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 82214123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).