1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid

C19H27N3O2 — CID 83947165

IUPAC1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
SMILESCc1c(CCN2CCCC2)c2c(C(=O)O)cccc2n1CCCN
InChIInChI=1S/C19H27N3O2/c1-14-15(8-13-21-10-2-3-11-21)18-16(19(23)24)6-4-7-17(18)22(14)12-5-9-20/h4,6-7H,2-3,5,8-13,20H2,1H3,(H,23,24)
InChIKeyYWXZNEDZUKJGNZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.64
Rot. Bonds7

About 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid

1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid (PubChem CID 83947165) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
PubChem CID83947165
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
SMILESCc1c(CCN2CCCC2)c2c(C(=O)O)cccc2n1CCCN
InChIInChI=1S/C19H27N3O2/c1-14-15(8-13-21-10-2-3-11-21)18-16(19(23)24)6-4-7-17(18)22(14)12-5-9-20/h4,6-7H,2-3,5,8-13,20H2,1H3,(H,23,24)
InChIKeyYWXZNEDZUKJGNZ-UHFFFAOYSA-N
XLogP2.64
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropyl)-2-methyl-3-propan-2-ylindole-4-carboxylic acid
CID 83964053
3-butyl-1-ethyl-2-methylindole-4-carboxylic acid
CID 83963981
1-(3-aminopropyl)-3-butyl-2-methylindole-7-carboxylic acid
CID 83963670
1-(3-aminopropyl)-3-methylindole-4-carboxylic acid
CID 83945721
1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
CID 83963664
2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 69180819
1-(3-hydroxypropyl)-2-methyl-3-propan-2-ylindole-4-carboxylic acid
CID 83964043
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 83947820
1-(2-aminoethyl)-3-(2-piperazin-1-ylethyl)indole-4-carboxylic acid
CID 83947850
3-(azepan-1-ylmethyl)-1-methylindole-4-carboxylic acid
CID 117171543
1-(3-aminopropyl)-2-methyl-3-propylindole-5-carboxylic acid
CID 83944551
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 43251398

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The IUPAC name of 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid (CID 83947165) is 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The canonical SMILES for 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid is Cc1c(CCN2CCCC2)c2c(C(=O)O)cccc2n1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
The InChIKey is YWXZNEDZUKJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-15(8-13-21-10-2-3-11-21)18-16(19(23)24)6-4-7-17(18)22(14)12-5-9-20/h4,6-7H,2-3,5,8-13,20H2,1H3,(H,23,24).
What are the key properties of 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid?
1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid is sourced from PubChem (CID 83947165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).