2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid

C13H19N3O3 — CID 112636156

IUPAC2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
SMILESCC(C)Oc1ccnc(N2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C13H19N3O3/c1-9(2)19-11-3-5-14-13(15-11)16-6-4-10(8-16)7-12(17)18/h3,5,9-10H,4,6-8H2,1-2H3,(H,17,18)
InChIKeySGECNGDVERSQSS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds5

About 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid

2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 112636156) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
PubChem CID112636156
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
SMILESCC(C)Oc1ccnc(N2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C13H19N3O3/c1-9(2)19-11-3-5-14-13(15-11)16-6-4-10(8-16)7-12(17)18/h3,5,9-10H,4,6-8H2,1-2H3,(H,17,18)
InChIKeySGECNGDVERSQSS-UHFFFAOYSA-N
XLogP1.56
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-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-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid (CID 112636156) is 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid is CC(C)Oc1ccnc(N2CCC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
The InChIKey is SGECNGDVERSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)19-11-3-5-14-13(15-11)16-6-4-10(8-16)7-12(17)18/h3,5,9-10H,4,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid?
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 112636156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).