3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid

C16H22N2O3 — CID 83946411

IUPAC3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
SMILESCc1ccc2c(CCCN)cn(CCCO)c2c1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13-12(4-2-7-17)10-18(8-3-9-19)15(13)14(11)16(20)21/h5-6,10,19H,2-4,7-9,17H2,1H3,(H,20,21)
InChIKeyJEAHUNKVWARGPC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.92
Rot. Bonds7

About 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid

3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid (PubChem CID 83946411) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
PubChem CID83946411
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
SMILESCc1ccc2c(CCCN)cn(CCCO)c2c1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13-12(4-2-7-17)10-18(8-3-9-19)15(13)14(11)16(20)21/h5-6,10,19H,2-4,7-9,17H2,1H3,(H,20,21)
InChIKeyJEAHUNKVWARGPC-UHFFFAOYSA-N
XLogP1.92
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-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-hydroxypropyl)-3,6-dimethylindole-7-carboxylic acid
CID 83946407
1,3-dibutyl-6-methylindole-7-carboxylic acid
CID 83946379
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328
3-(3-hydroxypropyl)-1,6-dimethylindole-7-carboxylic acid
CID 83946348
3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid
CID 83945437
3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964766
3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
CID 83944932
1-(2-aminoethyl)-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946424
3-(3-aminopropyl)-1-(2-hydroxyethyl)-5-methylindole-7-carboxylic acid
CID 83946040
1-(3-hydroxypropyl)-2,3,6-trimethylindole-7-carboxylic acid
CID 83964760
1,3-bis(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964764
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid (CID 83946411) is 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid is Cc1ccc2c(CCCN)cn(CCCO)c2c1C(=O)O.
What is the InChIKey of 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid?
The InChIKey is JEAHUNKVWARGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-13-12(4-2-7-17)10-18(8-3-9-19)15(13)14(11)16(20)21/h5-6,10,19H,2-4,7-9,17H2,1H3,(H,20,21).
What are the key properties of 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid?
3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid is sourced from PubChem (CID 83946411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).