3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid

C17H24N2O3 — CID 83964261

IUPAC3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN)c(C)n(CCCO)c12
InChIInChI=1S/C17H24N2O3/c1-3-12-9-13(17(21)22)10-15-14(5-6-18)11(2)19(16(12)15)7-4-8-20/h9-10,20H,3-8,18H2,1-2H3,(H,21,22)
InChIKeyPHYBVVVAMNSDEC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.09
Rot. Bonds7

About 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid

3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid (PubChem CID 83964261) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
PubChem CID83964261
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN)c(C)n(CCCO)c12
InChIInChI=1S/C17H24N2O3/c1-3-12-9-13(17(21)22)10-15-14(5-6-18)11(2)19(16(12)15)7-4-8-20/h9-10,20H,3-8,18H2,1-2H3,(H,21,22)
InChIKeyPHYBVVVAMNSDEC-UHFFFAOYSA-N
XLogP2.09
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-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

1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid
CID 83964262
3-butyl-7-ethyl-1-(2-hydroxyethyl)-2-methylindole-5-carboxylic acid
CID 83964195
1-butyl-3-(3-hydroxypropyl)-2,7-dimethylindole-5-carboxylic acid
CID 83964347
1-(3-aminopropyl)-7-ethyl-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83964267
1,3-bis(2-aminoethyl)-7-tert-butyl-2-methylindole-5-carboxylic acid
CID 83963865
3-(3-aminopropyl)-7-tert-butyl-1-(2-hydroxyethyl)-2-methylindole-5-carboxylic acid
CID 83963793
3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964766
1-(3-aminopropyl)-2-methyl-7-propan-2-yl-3-propylindole-5-carboxylic acid
CID 83964163
3-(3-aminopropyl)-1-ethyl-2,7-dimethylindole-5-carboxylic acid
CID 83964290
3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
5-tert-butyl-1-(3-hydroxypropyl)-2-methyl-3-propylindole-7-carboxylic acid
CID 83963755
3,7-diethyl-1-(3-hydroxypropyl)indole-5-carboxylic acid
CID 83945897

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid (CID 83964261) is 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(CCN)c(C)n(CCCO)c12.
What is the InChIKey of 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid?
The InChIKey is PHYBVVVAMNSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-12-9-13(17(21)22)10-15-14(5-6-18)11(2)19(16(12)15)7-4-8-20/h9-10,20H,3-8,18H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid?
3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid is sourced from PubChem (CID 83964261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).