2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C13H19N3O2 — CID 83070640

IUPAC2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCc1cc(N2CCCC2(CC)C(=O)O)ncn1
InChIInChI=1S/C13H19N3O2/c1-3-10-8-11(15-9-14-10)16-7-5-6-13(16,4-2)12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyOMTZQTZHKUHVHI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds4

About 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 83070640) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID83070640
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCc1cc(N2CCCC2(CC)C(=O)O)ncn1
InChIInChI=1S/C13H19N3O2/c1-3-10-8-11(15-9-14-10)16-7-5-6-13(16,4-2)12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)
InChIKeyOMTZQTZHKUHVHI-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83075986
2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 137015939
2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 83070789
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83071091
2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 83076066
1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 115871308
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136959737
1-(5-bromo-3-nitro-2-pyridinyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075739
2-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83071303
2-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080112
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 83070640) is 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is CCc1cc(N2CCCC2(CC)C(=O)O)ncn1.
What is the InChIKey of 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is OMTZQTZHKUHVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-8-11(15-9-14-10)16-7-5-6-13(16,4-2)12(17)18/h8-9H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).