3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid

C15H20N2O3 — CID 83945437

IUPAC3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid
SMILESNCCCc1cn(CCCO)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H20N2O3/c16-7-2-4-11-10-17(8-3-9-18)14-12(11)5-1-6-13(14)15(19)20/h1,5-6,10,18H,2-4,7-9,16H2,(H,19,20)
InChIKeyLRKAQHBGOAPHTO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.61
Rot. Bonds7

About 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid

3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid (PubChem CID 83945437) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid
PubChem CID83945437
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid
SMILESNCCCc1cn(CCCO)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H20N2O3/c16-7-2-4-11-10-17(8-3-9-18)14-12(11)5-1-6-13(14)15(19)20/h1,5-6,10,18H,2-4,7-9,16H2,(H,19,20)
InChIKeyLRKAQHBGOAPHTO-UHFFFAOYSA-N
XLogP1.61
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2-aminoethyl)indole-7-carboxylic acid
CID 83945459
3-(3-aminopropyl)-1-(3-hydroxypropyl)-6-methylindole-7-carboxylic acid
CID 83946411
3-(3-aminopropyl)-1-(2-hydroxyethyl)-5-methylindole-7-carboxylic acid
CID 83946040
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440
1-(2-aminoethyl)-3-(3-aminopropyl)-5-methylindole-7-carboxylic acid
CID 83946116
1,3-bis(3-aminopropyl)-5-tert-butylindole-7-carboxylic acid
CID 83945550
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
1-ethyl-3-(3-piperazin-1-ylpropyl)indole-7-carboxylic acid
CID 83947745
3-butyl-1-(3-hydroxypropyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946285
1-(3-aminopropyl)-3-butyl-5-tert-butylindole-7-carboxylic acid
CID 83945548
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid (CID 83945437) is 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid is NCCCc1cn(CCCO)c2c(C(=O)O)cccc12.
What is the InChIKey of 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid?
The InChIKey is LRKAQHBGOAPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-7-2-4-11-10-17(8-3-9-18)14-12(11)5-1-6-13(14)15(19)20/h1,5-6,10,18H,2-4,7-9,16H2,(H,19,20).
What are the key properties of 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid?
3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-(3-hydroxypropyl)indole-7-carboxylic acid is sourced from PubChem (CID 83945437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).