3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C11H15N3O3 — CID 136958883

IUPAC3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H15N3O3/c1-2-11(10(16)17)3-4-14(6-11)8-5-9(15)13-7-12-8/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyOWRGECTWMVWTNG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.46
Rot. Bonds3

About 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958883) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958883
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H15N3O3/c1-2-11(10(16)17)3-4-14(6-11)8-5-9(15)13-7-12-8/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyOWRGECTWMVWTNG-UHFFFAOYSA-N
XLogP0.46
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958883) is 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OWRGECTWMVWTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-11(10(16)17)3-4-14(6-11)8-5-9(15)13-7-12-8/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).