3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid

C13H19N3O2 — CID 95823594

IUPAC3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
SMILESCc1cc(CCC(=O)O)nc([C@H]2CCCN2C)n1
InChIInChI=1S/C13H19N3O2/c1-9-8-10(5-6-12(17)18)15-13(14-9)11-4-3-7-16(11)2/h8,11H,3-7H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyYUNQUIBBLIFJKL-LLVKDONJSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds4

About 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid

3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid (PubChem CID 95823594) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
PubChem CID95823594
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
SMILESCc1cc(CCC(=O)O)nc([C@H]2CCCN2C)n1
InChIInChI=1S/C13H19N3O2/c1-9-8-10(5-6-12(17)18)15-13(14-9)11-4-3-7-16(11)2/h8,11H,3-7H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyYUNQUIBBLIFJKL-LLVKDONJSA-N
XLogP1.57
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[6-methyl-2-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
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3-[6-methyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
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4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
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N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide
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3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
3-[6-methyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid?
The IUPAC name of 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid (CID 95823594) is 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid?
The canonical SMILES for 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid is Cc1cc(CCC(=O)O)nc([C@H]2CCCN2C)n1.
What is the InChIKey of 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid?
The InChIKey is YUNQUIBBLIFJKL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-10(5-6-12(17)18)15-13(14-9)11-4-3-7-16(11)2/h8,11H,3-7H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid?
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid is sourced from PubChem (CID 95823594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).