3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid

C14H18N2O2 — CID 83946617

IUPAC3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
SMILESCC(C)n1cc(CCN)c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H18N2O2/c1-9(2)16-8-11(5-6-15)12-4-3-10(14(17)18)7-13(12)16/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,18)
InChIKeyBOSDJIDZQOQQPA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.42
Rot. Bonds4

About 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid

3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid (PubChem CID 83946617) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
PubChem CID83946617
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
SMILESCC(C)n1cc(CCN)c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H18N2O2/c1-9(2)16-8-11(5-6-15)12-4-3-10(14(17)18)7-13(12)16/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,18)
InChIKeyBOSDJIDZQOQQPA-UHFFFAOYSA-N
XLogP2.42
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(piperazin-1-ylmethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 117179158
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
3-(hydroxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175803
2-(5,6-dimethyl-1-propan-2-ylindol-3-yl)ethanamine
CID 83948286
1-(2-aminoethyl)-3-methylindole-6-carboxylic acid
CID 83946650
(6-chloro-1-propan-2-ylindol-3-yl)methanamine
CID 117122224
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
CID 83963355
3-(2-aminoethyl)-1-propan-2-ylindole-5-carbonitrile
CID 105484823
3-(phenoxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175773
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944293
[3-(aminomethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178738
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid (CID 83946617) is 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid is CC(C)n1cc(CCN)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid?
The InChIKey is BOSDJIDZQOQQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)16-8-11(5-6-15)12-4-3-10(14(17)18)7-13(12)16/h3-4,7-9H,5-6,15H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid?
3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid is sourced from PubChem (CID 83946617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).