3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid

C15H20N2O3 — CID 83963394

IUPAC3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)c(CCCN)cn2CCO
InChIInChI=1S/C15H20N2O3/c1-10-7-14-13(8-12(10)15(19)20)11(3-2-4-16)9-17(14)5-6-18/h7-9,18H,2-6,16H2,1H3,(H,19,20)
InChIKeyBIUQWBCGULKXHQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.53
Rot. Bonds6

About 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid

3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid (PubChem CID 83963394) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
PubChem CID83963394
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)c(CCCN)cn2CCO
InChIInChI=1S/C15H20N2O3/c1-10-7-14-13(8-12(10)15(19)20)11(3-2-4-16)9-17(14)5-6-18/h7-9,18H,2-6,16H2,1H3,(H,19,20)
InChIKeyBIUQWBCGULKXHQ-UHFFFAOYSA-N
XLogP1.53
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid (CID 83963394) is 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid is Cc1cc2c(cc1C(=O)O)c(CCCN)cn2CCO.
What is the InChIKey of 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid?
The InChIKey is BIUQWBCGULKXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-7-14-13(8-12(10)15(19)20)11(3-2-4-16)9-17(14)5-6-18/h7-9,18H,2-6,16H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid?
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid is sourced from PubChem (CID 83963394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).