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

C11H12N2O2 — CID 69396073

IUPAC3-(2-aminoethyl)indole-1-carboxylic acid
SMILESNCCc1cn(C(=O)O)c2ccccc12
InChIInChI=1S/C11H12N2O2/c12-6-5-8-7-13(11(14)15)10-4-2-1-3-9(8)10/h1-4,7H,5-6,12H2,(H,14,15)
InChIKeyKOVCAJAKTFHYJH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds2

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

3-(2-aminoethyl)indole-1-carboxylic acid (PubChem CID 69396073) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)indole-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)indole-1-carboxylic acid
PubChem CID69396073
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(2-aminoethyl)indole-1-carboxylic acid
SMILESNCCc1cn(C(=O)O)c2ccccc12
InChIInChI=1S/C11H12N2O2/c12-6-5-8-7-13(11(14)15)10-4-2-1-3-9(8)10/h1-4,7H,5-6,12H2,(H,14,15)
InChIKeyKOVCAJAKTFHYJH-UHFFFAOYSA-N
XLogP1.67
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-(1-chloroindol-3-yl)ethanamine
CID 22722065
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
CID 12504715
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
3-[(2R)-2-aminopropyl]indole-1-carboxylic acid;(2S)-2-(methylamino)propanoic acid
CID 90205467
3-[(2R)-2-aminopropyl]indole-1-carboxylic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 88609118
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
2-(1-ethylsulfonylindol-3-yl)ethanamine
CID 82481545
1-[3-(2-aminoethyl)indol-1-yl]ethane-1,2-diol
CID 170868919
3-[1-[2-[3-(2-aminoethyl)indol-1-yl]-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
CID 112528885
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)indole-1-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)indole-1-carboxylic acid (CID 69396073) is 3-(2-aminoethyl)indole-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)indole-1-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)indole-1-carboxylic acid is NCCc1cn(C(=O)O)c2ccccc12.
What is the InChIKey of 3-(2-aminoethyl)indole-1-carboxylic acid?
The InChIKey is KOVCAJAKTFHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-6-5-8-7-13(11(14)15)10-4-2-1-3-9(8)10/h1-4,7H,5-6,12H2,(H,14,15).
What are the key properties of 3-(2-aminoethyl)indole-1-carboxylic acid?
3-(2-aminoethyl)indole-1-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)indole-1-carboxylic acid is sourced from PubChem (CID 69396073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).