2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C11H15N3O3 — CID 136972356

IUPAC2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-2-11(10(16)17)4-3-5-14(11)8-6-9(15)13-7-12-8/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyPJQIJFDZENECJC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds3

About 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136972356) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136972356
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-2-11(10(16)17)4-3-5-14(11)8-6-9(15)13-7-12-8/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyPJQIJFDZENECJC-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136972356) is 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is PJQIJFDZENECJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-11(10(16)17)4-3-5-14(11)8-6-9(15)13-7-12-8/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136972356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).