5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid

C15H18N2O4 — CID 82214108

IUPAC5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid
SMILESCCc1ccc2[nH]c(C(=O)O)c(CNC(=O)COC)c2c1
InChIInChI=1S/C15H18N2O4/c1-3-9-4-5-12-10(6-9)11(14(17-12)15(19)20)7-16-13(18)8-21-2/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDFQIBGVVLPGZIP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.69
Rot. Bonds6

About 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid

5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid (PubChem CID 82214108) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid
PubChem CID82214108
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid
SMILESCCc1ccc2[nH]c(C(=O)O)c(CNC(=O)COC)c2c1
InChIInChI=1S/C15H18N2O4/c1-3-9-4-5-12-10(6-9)11(14(17-12)15(19)20)7-16-13(18)8-21-2/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDFQIBGVVLPGZIP-UHFFFAOYSA-N
XLogP1.69
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 82214123
3-[(2-ethylbutanoylamino)methyl]-5-methoxy-1H-indole-2-carboxylic acid
CID 94949022
5-methyl-3-[(3-methylbutanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 82214134
5-methyl-3-[[(2,2,2-trifluoroacetyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214142
5-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-1H-indole-2-carboxylic acid
CID 94949083
ethyl 5-(acetamidomethyl)-3-(2-aminoethyl)-1H-indole-2-carboxylate
CID 15531146
5-fluoro-3-[[(4-methylbenzoyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214080
3-[(cyclopropanecarbonylamino)methyl]-5-(dimethylamino)-1H-indole-2-carboxylic acid
CID 82214157
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274
3-[[2-(4-chlorophenyl)ethylamino]methyl]-6-methoxy-1H-indole-2-carboxylic acid
CID 53208728
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
3-[[(4-ethoxyphenyl)methylamino]methyl]-6-methoxy-1H-indole-2-carboxylic acid
CID 53208750

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid (CID 82214108) is 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid is CCc1ccc2[nH]c(C(=O)O)c(CNC(=O)COC)c2c1.
What is the InChIKey of 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid?
The InChIKey is DFQIBGVVLPGZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-9-4-5-12-10(6-9)11(14(17-12)15(19)20)7-16-13(18)8-21-2/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid?
5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[[(2-methoxyacetyl)amino]methyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 82214108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).