2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C11H15N3O2 — CID 79371902

IUPAC2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)C2C)ncn1
InChIInChI=1S/C11H15N3O2/c1-7-5-10(13-6-12-7)14-4-3-9(8(14)2)11(15)16/h5-6,8-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyUVMZCTQIMBUULB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.08
Rot. Bonds2

About 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 79371902) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID79371902
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(N2CCC(C(=O)O)C2C)ncn1
InChIInChI=1S/C11H15N3O2/c1-7-5-10(13-6-12-7)14-4-3-9(8(14)2)11(15)16/h5-6,8-9H,3-4H2,1-2H3,(H,15,16)
InChIKeyUVMZCTQIMBUULB-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 79371902) is 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is Cc1cc(N2CCC(C(=O)O)C2C)ncn1.
What is the InChIKey of 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is UVMZCTQIMBUULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-10(13-6-12-7)14-4-3-9(8(14)2)11(15)16/h5-6,8-9H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).