3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C11H13N3O2 — CID 165352496

IUPAC3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESNCCCc1c(C(=O)O)[nH]c2ccncc12
InChIInChI=1S/C11H13N3O2/c12-4-1-2-7-8-6-13-5-3-9(8)14-10(7)11(15)16/h3,5-6,14H,1-2,4,12H2,(H,15,16)
InChIKeyHNNBDGCSSWMAAB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.15
Rot. Bonds4

About 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 165352496) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID165352496
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESNCCCc1c(C(=O)O)[nH]c2ccncc12
InChIInChI=1S/C11H13N3O2/c12-4-1-2-7-8-6-13-5-3-9(8)14-10(7)11(15)16/h3,5-6,14H,1-2,4,12H2,(H,15,16)
InChIKeyHNNBDGCSSWMAAB-UHFFFAOYSA-N
XLogP1.15
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 165352496) is 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is NCCCc1c(C(=O)O)[nH]c2ccncc12.
What is the InChIKey of 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is HNNBDGCSSWMAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-4-1-2-7-8-6-13-5-3-9(8)14-10(7)11(15)16/h3,5-6,14H,1-2,4,12H2,(H,15,16).
What are the key properties of 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 165352496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).