1-(3-aminopropyl)indole-6-carboxylic acid

C12H14N2O2 — CID 83946639

IUPAC1-(3-aminopropyl)indole-6-carboxylic acid
SMILESNCCCn1ccc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H14N2O2/c13-5-1-6-14-7-4-9-2-3-10(12(15)16)8-11(9)14/h2-4,7-8H,1,5-6,13H2,(H,15,16)
InChIKeyBVXCGLYYTGUCKF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.69
Rot. Bonds4

About 1-(3-aminopropyl)indole-6-carboxylic acid

1-(3-aminopropyl)indole-6-carboxylic acid (PubChem CID 83946639) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(3-aminopropyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)indole-6-carboxylic acid
PubChem CID83946639
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(3-aminopropyl)indole-6-carboxylic acid
SMILESNCCCn1ccc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H14N2O2/c13-5-1-6-14-7-4-9-2-3-10(12(15)16)8-11(9)14/h2-4,7-8H,1,5-6,13H2,(H,15,16)
InChIKeyBVXCGLYYTGUCKF-UHFFFAOYSA-N
XLogP1.69
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)indole-6-carboxylic acid?
The IUPAC name of 1-(3-aminopropyl)indole-6-carboxylic acid (CID 83946639) is 1-(3-aminopropyl)indole-6-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropyl)indole-6-carboxylic acid?
The canonical SMILES for 1-(3-aminopropyl)indole-6-carboxylic acid is NCCCn1ccc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-(3-aminopropyl)indole-6-carboxylic acid?
The InChIKey is BVXCGLYYTGUCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-5-1-6-14-7-4-9-2-3-10(12(15)16)8-11(9)14/h2-4,7-8H,1,5-6,13H2,(H,15,16).
What are the key properties of 1-(3-aminopropyl)indole-6-carboxylic acid?
1-(3-aminopropyl)indole-6-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)indole-6-carboxylic acid is sourced from PubChem (CID 83946639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).