3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid

C10H10N2O2 — CID 84818030

IUPAC3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid
SMILESO=C(O)CCn1ccc2cnccc21
InChIInChI=1S/C10H10N2O2/c13-10(14)3-6-12-5-2-8-7-11-4-1-9(8)12/h1-2,4-5,7H,3,6H2,(H,13,14)
InChIKeyNDHROLUAEIKRDT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.51
Rot. Bonds3

About 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid

3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid (PubChem CID 84818030) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid
PubChem CID84818030
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid
SMILESO=C(O)CCn1ccc2cnccc21
InChIInChI=1S/C10H10N2O2/c13-10(14)3-6-12-5-2-8-7-11-4-1-9(8)12/h1-2,4-5,7H,3,6H2,(H,13,14)
InChIKeyNDHROLUAEIKRDT-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid?
The IUPAC name of 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid (CID 84818030) is 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid.
What is the SMILES notation for 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid?
The canonical SMILES for 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid is O=C(O)CCn1ccc2cnccc21.
What is the InChIKey of 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid?
The InChIKey is NDHROLUAEIKRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)3-6-12-5-2-8-7-11-4-1-9(8)12/h1-2,4-5,7H,3,6H2,(H,13,14).
What are the key properties of 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid?
3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid has a molecular weight of 190.20 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[3,2-c]pyridin-1-ylpropanoic acid is sourced from PubChem (CID 84818030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).