3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid

C12H17N3O2 — CID 83841925

IUPAC3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid
SMILESCN1Cc2ccc(N(C)CCC(=O)O)nc2C1
InChIInChI=1S/C12H17N3O2/c1-14-7-9-3-4-11(13-10(9)8-14)15(2)6-5-12(16)17/h3-4H,5-8H2,1-2H3,(H,16,17)
InChIKeyJYGHUERJEDZLII-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.94
Rot. Bonds4

About 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid

3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid (PubChem CID 83841925) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid
PubChem CID83841925
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid
SMILESCN1Cc2ccc(N(C)CCC(=O)O)nc2C1
InChIInChI=1S/C12H17N3O2/c1-14-7-9-3-4-11(13-10(9)8-14)15(2)6-5-12(16)17/h3-4H,5-8H2,1-2H3,(H,16,17)
InChIKeyJYGHUERJEDZLII-UHFFFAOYSA-N
XLogP0.94
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid
CID 83841565
4-[6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl(methyl)amino]butanoic acid
CID 83841566
3-[(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)amino]propanoic acid
CID 83838681
4-[methyl(quinolin-2-yl)amino]butanoic acid
CID 43329714
3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid
CID 114474321
[3-(dimethylamino)-3-oxopropyl]-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]carbamic acid
CID 69483718
3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 83841920
N-ethyl-6-methyl-N-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 145128367
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid
CID 167888305
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582
3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]propanoic acid
CID 79158335

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid (CID 83841925) is 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid is CN1Cc2ccc(N(C)CCC(=O)O)nc2C1.
What is the InChIKey of 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid?
The InChIKey is JYGHUERJEDZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-7-9-3-4-11(13-10(9)8-14)15(2)6-5-12(16)17/h3-4H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid?
3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)amino]propanoic acid is sourced from PubChem (CID 83841925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).