1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C11H15N3O3 — CID 136958833

IUPAC1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1nc(N2CCC(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-2-8-12-9(5-10(15)13-8)14-4-3-7(6-14)11(16)17/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyQMQSIORPSXGXOQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.24
Rot. Bonds3

About 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958833) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958833
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1nc(N2CCC(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-2-8-12-9(5-10(15)13-8)14-4-3-7(6-14)11(16)17/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyQMQSIORPSXGXOQ-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958833) is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CCc1nc(N2CCC(C(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is QMQSIORPSXGXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-8-12-9(5-10(15)13-8)14-4-3-7(6-14)11(16)17/h5,7H,2-4,6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).