3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid

C11H15N3O3 — CID 175917195

IUPAC3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid
SMILESCCc1cnc(C2CCN(C(=O)O)C2)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-2-7-5-12-9(13-10(7)15)8-3-4-14(6-8)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyWWHVSEWQMPHZEJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.80
Rot. Bonds2

About 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid

3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 175917195) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID175917195
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid
SMILESCCc1cnc(C2CCN(C(=O)O)C2)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-2-7-5-12-9(13-10(7)15)8-3-4-14(6-8)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyWWHVSEWQMPHZEJ-UHFFFAOYSA-N
XLogP0.80
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid (CID 175917195) is 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid is CCc1cnc(C2CCN(C(=O)O)C2)[nH]c1=O.
What is the InChIKey of 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is WWHVSEWQMPHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-7-5-12-9(13-10(7)15)8-3-4-14(6-8)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid?
3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175917195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).