3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid

C11H12N2O3 — CID 163387080

IUPAC3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid
SMILESNCCc1c[nH]c2c(C(=O)O)ccc(O)c12
InChIInChI=1S/C11H12N2O3/c12-4-3-6-5-13-10-7(11(15)16)1-2-8(14)9(6)10/h1-2,5,13-14H,3-4,12H2,(H,15,16)
InChIKeyZZUHXMCLWUCMGG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.07
Rot. Bonds3

About 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid

3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid (PubChem CID 163387080) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid
PubChem CID163387080
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid
SMILESNCCc1c[nH]c2c(C(=O)O)ccc(O)c12
InChIInChI=1S/C11H12N2O3/c12-4-3-6-5-13-10-7(11(15)16)1-2-8(14)9(6)10/h1-2,5,13-14H,3-4,12H2,(H,15,16)
InChIKeyZZUHXMCLWUCMGG-UHFFFAOYSA-N
XLogP1.07
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-propyl-1H-indole-7-carboxylic acid
CID 170204793
3-(2-aminoethyl)-5-ethyl-1H-indole-7-carboxylic acid
CID 83946549
5-(2-aminoethyl)-2,4-dihydroxybenzoic acid
CID 117286645
4,5,8-trihydroxynaphthalene-1-carboxylic acid
CID 139775362
2-(4,7-dimethyl-1H-indol-3-yl)ethanamine;hydrochloride
CID 18702258
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
9-[3-(2-aminoethyl)-5-hydroxy-1H-indol-4-yl]-3,7-dihydropurine-2,6,8-trione
CID 54549188
3-amino-2-bromo-4-hydroxybenzoic acid
CID 84695246
4-(2-aminoethyl)-7-hydroxy-1,2-dihydroindazol-3-one;hydrobromide
CID 131716579
2-(2-aminoethyl)-4-methoxybenzoic acid
CID 83853053
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid (CID 163387080) is 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid is NCCc1c[nH]c2c(C(=O)O)ccc(O)c12.
What is the InChIKey of 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid?
The InChIKey is ZZUHXMCLWUCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-4-3-6-5-13-10-7(11(15)16)1-2-8(14)9(6)10/h1-2,5,13-14H,3-4,12H2,(H,15,16).
What are the key properties of 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid?
3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid is sourced from PubChem (CID 163387080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).