3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid

C11H14N2O2 — CID 83833344

IUPAC3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid
SMILESCN1Cc2cc(CCC(=O)O)cnc2C1
InChIInChI=1S/C11H14N2O2/c1-13-6-9-4-8(2-3-11(14)15)5-12-10(9)7-13/h4-5H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyBJASSYIBNBBYCM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.04
Rot. Bonds3

About 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid

3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid (PubChem CID 83833344) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid
PubChem CID83833344
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid
SMILESCN1Cc2cc(CCC(=O)O)cnc2C1
InChIInChI=1S/C11H14N2O2/c1-13-6-9-4-8(2-3-11(14)15)5-12-10(9)7-13/h4-5H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyBJASSYIBNBBYCM-UHFFFAOYSA-N
XLogP1.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid (CID 83833344) is 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid is CN1Cc2cc(CCC(=O)O)cnc2C1.
What is the InChIKey of 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid?
The InChIKey is BJASSYIBNBBYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-6-9-4-8(2-3-11(14)15)5-12-10(9)7-13/h4-5H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid?
3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid has a molecular weight of 206.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 83833344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).