3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid

C15H20N2O2 — CID 83963643

IUPAC3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid
SMILESCc1c(CCN)c2cccc(C(=O)O)c2n1C(C)C
InChIInChI=1S/C15H20N2O2/c1-9(2)17-10(3)11(7-8-16)12-5-4-6-13(14(12)17)15(18)19/h4-6,9H,7-8,16H2,1-3H3,(H,18,19)
InChIKeyFQHLQCRUWHJZPK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds4

About 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid

3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid (PubChem CID 83963643) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid
PubChem CID83963643
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid
SMILESCc1c(CCN)c2cccc(C(=O)O)c2n1C(C)C
InChIInChI=1S/C15H20N2O2/c1-9(2)17-10(3)11(7-8-16)12-5-4-6-13(14(12)17)15(18)19/h4-6,9H,7-8,16H2,1-3H3,(H,18,19)
InChIKeyFQHLQCRUWHJZPK-UHFFFAOYSA-N
XLogP2.73
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-2,6-dimethyl-1-propan-2-ylindole-7-carboxylic acid
CID 83964746
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944293
1-(3-aminopropyl)-3-butyl-2-methylindole-7-carboxylic acid
CID 83963670
1,2-dimethyl-3-propylindole-7-carboxylic acid
CID 83963608
1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
CID 83963664
1-(2-aminoethyl)-3-(1-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83963675
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 117184356
1,3-bis(2-aminoethyl)indole-7-carboxylic acid
CID 83945459
3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944292
5-tert-butyl-3-ethyl-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83963734
1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83945413
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid (CID 83963643) is 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid is Cc1c(CCN)c2cccc(C(=O)O)c2n1C(C)C.
What is the InChIKey of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid?
The InChIKey is FQHLQCRUWHJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)17-10(3)11(7-8-16)12-5-4-6-13(14(12)17)15(18)19/h4-6,9H,7-8,16H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid?
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid is sourced from PubChem (CID 83963643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).