3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid

C16H22N2O3 — CID 83964766

IUPAC3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
SMILESCc1ccc2c(CCN)c(C)n(CCCO)c2c1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10-4-5-13-12(6-7-17)11(2)18(8-3-9-19)15(13)14(10)16(20)21/h4-5,19H,3,6-9,17H2,1-2H3,(H,20,21)
InChIKeyJZLVKXKVOAXBTP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds6

About 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid

3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid (PubChem CID 83964766) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
PubChem CID83964766
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
SMILESCc1ccc2c(CCN)c(C)n(CCCO)c2c1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10-4-5-13-12(6-7-17)11(2)18(8-3-9-19)15(13)14(10)16(20)21/h4-5,19H,3,6-9,17H2,1-2H3,(H,20,21)
InChIKeyJZLVKXKVOAXBTP-UHFFFAOYSA-N
XLogP1.84
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
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)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-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-bis(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964764
1-(2-hydroxyethyl)-3-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964701
1-(3-aminopropyl)-3-butyl-2,6-dimethylindole-7-carboxylic acid
CID 83964774
1-(3-hydroxypropyl)-2,3,6-trimethylindole-7-carboxylic acid
CID 83964760
1-butyl-3-ethyl-2,6-dimethylindole-7-carboxylic acid
CID 83964747
3-(2-aminoethyl)-2,6-dimethyl-1-propan-2-ylindole-7-carboxylic acid
CID 83964746
3-(2-aminoethyl)-7-ethyl-1-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
CID 83964261
3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
CID 83946411
1-(3-hydroxypropyl)-3,6-dimethylindole-7-carboxylic acid
CID 83946407
1-butyl-2,3,6-trimethylindole-7-carboxylic acid
CID 83964750
3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid
CID 83946348
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid (CID 83964766) is 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid is Cc1ccc2c(CCN)c(C)n(CCCO)c2c1C(=O)O.
What is the InChIKey of 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid?
The InChIKey is JZLVKXKVOAXBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-4-5-13-12(6-7-17)11(2)18(8-3-9-19)15(13)14(10)16(20)21/h4-5,19H,3,6-9,17H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid?
3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid is sourced from PubChem (CID 83964766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).