3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid

C12H17N3O2 — CID 96595547

IUPAC3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1nc2c(c(C(=O)O)c1N)CN(C)C2
InChIInChI=1S/C12H17N3O2/c1-6(2)11-10(13)9(12(16)17)7-4-15(3)5-8(7)14-11/h6H,4-5,13H2,1-3H3,(H,16,17)
InChIKeyZLCUPJUKZFDFNR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.43
Rot. Bonds2

About 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid

3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 96595547) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID96595547
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1nc2c(c(C(=O)O)c1N)CN(C)C2
InChIInChI=1S/C12H17N3O2/c1-6(2)11-10(13)9(12(16)17)7-4-15(3)5-8(7)14-11/h6H,4-5,13H2,1-3H3,(H,16,17)
InChIKeyZLCUPJUKZFDFNR-UHFFFAOYSA-N
XLogP1.43
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid (CID 96595547) is 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid is CC(C)c1nc2c(c(C(=O)O)c1N)CN(C)C2.
What is the InChIKey of 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is ZLCUPJUKZFDFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-6(2)11-10(13)9(12(16)17)7-4-15(3)5-8(7)14-11/h6H,4-5,13H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid?
3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 96595547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).