2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid

C11H15N3O3 — CID 71563746

IUPAC2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid
SMILESCc1cc(OCC(=O)O)nc(N2CCCC2)n1
InChIInChI=1S/C11H15N3O3/c1-8-6-9(17-7-10(15)16)13-11(12-8)14-4-2-3-5-14/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyUTNLPODOMKWPIB-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds4

About 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid

2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid (PubChem CID 71563746) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid
PubChem CID71563746
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid
SMILESCc1cc(OCC(=O)O)nc(N2CCCC2)n1
InChIInChI=1S/C11H15N3O3/c1-8-6-9(17-7-10(15)16)13-11(12-8)14-4-2-3-5-14/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyUTNLPODOMKWPIB-UHFFFAOYSA-N
XLogP0.85
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid (CID 71563746) is 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid is Cc1cc(OCC(=O)O)nc(N2CCCC2)n1.
What is the InChIKey of 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is UTNLPODOMKWPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-6-9(17-7-10(15)16)13-11(12-8)14-4-2-3-5-14/h6H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid?
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 71563746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).