2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid

C11H15N3O2 — CID 62785100

IUPAC2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCc1nccc(N2CCCC2CC(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-8-12-5-4-10(13-8)14-6-2-3-9(14)7-11(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyRMYMYFNNUWAEAQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.23
Rot. Bonds3

About 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid

2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 62785100) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
PubChem CID62785100
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCc1nccc(N2CCCC2CC(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-8-12-5-4-10(13-8)14-6-2-3-9(14)7-11(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyRMYMYFNNUWAEAQ-UHFFFAOYSA-N
XLogP1.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid (CID 62785100) is 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid is Cc1nccc(N2CCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is RMYMYFNNUWAEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-12-5-4-10(13-8)14-6-2-3-9(14)7-11(15)16/h4-5,9H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 62785100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).