1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

C18H25N3O2 — CID 83947926

IUPAC1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c(CCN3CCCC3)cn(CCN)c12
InChIInChI=1S/C18H25N3O2/c1-13-10-15(18(22)23)11-16-14(4-8-20-6-2-3-7-20)12-21(9-5-19)17(13)16/h10-12H,2-9,19H2,1H3,(H,22,23)
InChIKeyAKBBYLUTCKAZSM-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.24
Rot. Bonds6

About 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (PubChem CID 83947926) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
PubChem CID83947926
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c(CCN3CCCC3)cn(CCN)c12
InChIInChI=1S/C18H25N3O2/c1-13-10-15(18(22)23)11-16-14(4-8-20-6-2-3-7-20)12-21(9-5-19)17(13)16/h10-12H,2-9,19H2,1H3,(H,22,23)
InChIKeyAKBBYLUTCKAZSM-UHFFFAOYSA-N
XLogP2.24
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
3,7-dimethyl-1-propylindole-5-carboxylic acid
CID 83945963
3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid
CID 83945644
9-(3-aminopropyl)-1-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946860
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (CID 83947926) is 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is Cc1cc(C(=O)O)cc2c(CCN3CCCC3)cn(CCN)c12.
What is the InChIKey of 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The InChIKey is AKBBYLUTCKAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-10-15(18(22)23)11-16-14(4-8-20-6-2-3-7-20)12-21(9-5-19)17(13)16/h10-12H,2-9,19H2,1H3,(H,22,23).
What are the key properties of 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid has a molecular weight of 315.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 83947926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).