3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid

C14H19N3O2 — CID 83963355

IUPAC3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
SMILESNCCCn1cc(CCN)c2cc(C(=O)O)ccc21
InChIInChI=1S/C14H19N3O2/c15-5-1-7-17-9-11(4-6-16)12-8-10(14(18)19)2-3-13(12)17/h2-3,8-9H,1,4-7,15-16H2,(H,18,19)
InChIKeyXHTMCJSNTLASIR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.19
Rot. Bonds6

About 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid

3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid (PubChem CID 83963355) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
PubChem CID83963355
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
SMILESNCCCn1cc(CCN)c2cc(C(=O)O)ccc21
InChIInChI=1S/C14H19N3O2/c15-5-1-7-17-9-11(4-6-16)12-8-10(14(18)19)2-3-13(12)17/h2-3,8-9H,1,4-7,15-16H2,(H,18,19)
InChIKeyXHTMCJSNTLASIR-UHFFFAOYSA-N
XLogP1.19
TPSA94.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
CID 83948758
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
1-(3-aminopropyl)benzimidazole-5-carboxylic acid
CID 83413091
1-butyl-3-methylindole-5-carboxylic acid
CID 83946820
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
3-(3,5-diethylindol-1-yl)propan-1-amine
CID 83948751
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
3-(5-ethyl-3-propylindol-1-yl)propan-1-amine
CID 83948753
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
2-[1-(3-aminopropyl)-5,6-dimethylindol-3-yl]acetic acid
CID 83944371
3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 83946617

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid (CID 83963355) is 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid is NCCCn1cc(CCN)c2cc(C(=O)O)ccc21.
What is the InChIKey of 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid?
The InChIKey is XHTMCJSNTLASIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-5-1-7-17-9-11(4-6-16)12-8-10(14(18)19)2-3-13(12)17/h2-3,8-9H,1,4-7,15-16H2,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid?
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.19, 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-aminopropyl)indole-5-carboxylic acid is sourced from PubChem (CID 83963355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).