1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

C11H15N3O3 — CID 66318063

IUPAC1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCOc1cc(N2CC(C)C(C(=O)O)C2)ncn1
InChIInChI=1S/C11H15N3O3/c1-7-4-14(5-8(7)11(15)16)9-3-10(17-2)13-6-12-9/h3,6-8H,4-5H2,1-2H3,(H,15,16)
InChIKeyUQCFLEUPBMYOMD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.64
Rot. Bonds3

About 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 66318063) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID66318063
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCOc1cc(N2CC(C)C(C(=O)O)C2)ncn1
InChIInChI=1S/C11H15N3O3/c1-7-4-14(5-8(7)11(15)16)9-3-10(17-2)13-6-12-9/h3,6-8H,4-5H2,1-2H3,(H,15,16)
InChIKeyUQCFLEUPBMYOMD-UHFFFAOYSA-N
XLogP0.64
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 66318063) is 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is COc1cc(N2CC(C)C(C(=O)O)C2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UQCFLEUPBMYOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-14(5-8(7)11(15)16)9-3-10(17-2)13-6-12-9/h3,6-8H,4-5H2,1-2H3,(H,15,16).
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66318063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).