3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid

C16H22N2O2 — CID 83944292

IUPAC3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
SMILESCc1c(CCCN)c2cc(C(=O)O)ccc2n1C(C)C
InChIInChI=1S/C16H22N2O2/c1-10(2)18-11(3)13(5-4-8-17)14-9-12(16(19)20)6-7-15(14)18/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,19,20)
InChIKeyKYFUIZSWOAOFJP-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.12
Rot. Bonds5

About 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid

3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid (PubChem CID 83944292) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
PubChem CID83944292
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
SMILESCc1c(CCCN)c2cc(C(=O)O)ccc2n1C(C)C
InChIInChI=1S/C16H22N2O2/c1-10(2)18-11(3)13(5-4-8-17)14-9-12(16(19)20)6-7-15(14)18/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,19,20)
InChIKeyKYFUIZSWOAOFJP-UHFFFAOYSA-N
XLogP3.12
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-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

3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944293
3-(3-hydroxypropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944291
2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944287
1-(3-aminopropyl)-2-methyl-3-propylindole-5-carboxylic acid
CID 83944551
1,3-dibutyl-2-methylindole-5-carboxylic acid
CID 83944299
1-(2-hydroxyethyl)-3-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
CID 83944682
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
1-(3-aminopropyl)-2-methyl-7-propan-2-yl-3-propylindole-5-carboxylic acid
CID 83964163
2,5-dimethyl-1-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947123
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83963643
3-(2-aminoethyl)-2,6-dimethyl-1-propan-2-ylindole-7-carboxylic acid
CID 83964746
3-(3-aminopropyl)-1-ethyl-2,7-dimethylindole-5-carboxylic acid
CID 83964290

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid (CID 83944292) is 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid is Cc1c(CCCN)c2cc(C(=O)O)ccc2n1C(C)C.
What is the InChIKey of 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
The InChIKey is KYFUIZSWOAOFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)18-11(3)13(5-4-8-17)14-9-12(16(19)20)6-7-15(14)18/h6-7,9-10H,4-5,8,17H2,1-3H3,(H,19,20).
What are the key properties of 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 83944292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).