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

C11H15N3O4 — CID 136958344

IUPAC1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1nc(N2CC(O)CC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-2-8-12-9(4-10(16)13-8)14-5-6(15)3-7(14)11(17)18/h4,6-7,15H,2-3,5H2,1H3,(H,17,18)(H,12,13,16)
InChIKeyMUEBGCRZWYGXJM-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.64
Rot. Bonds3

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

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 136958344) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID136958344
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1nc(N2CC(O)CC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-2-8-12-9(4-10(16)13-8)14-5-6(15)3-7(14)11(17)18/h4,6-7,15H,2-3,5H2,1H3,(H,17,18)(H,12,13,16)
InChIKeyMUEBGCRZWYGXJM-UHFFFAOYSA-N
XLogP-0.64
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 136958344) is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is CCc1nc(N2CC(O)CC2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is MUEBGCRZWYGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-8-12-9(4-10(16)13-8)14-5-6(15)3-7(14)11(17)18/h4,6-7,15H,2-3,5H2,1H3,(H,17,18)(H,12,13,16).
What are the key properties of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).