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

C12H15N3O4 — CID 136958342

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O4/c16-7-3-8(12(18)19)15(5-7)9-4-10(17)14-11(13-9)6-1-2-6/h4,6-8,16H,1-3,5H2,(H,18,19)(H,13,14,17)
InChIKeyAXDCWLQMRTZRRW-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.33
Rot. Bonds3

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

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 136958342) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID136958342
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C12H15N3O4/c16-7-3-8(12(18)19)15(5-7)9-4-10(17)14-11(13-9)6-1-2-6/h4,6-8,16H,1-3,5H2,(H,18,19)(H,13,14,17)
InChIKeyAXDCWLQMRTZRRW-UHFFFAOYSA-N
XLogP-0.33
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-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 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 136958342) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is AXDCWLQMRTZRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-7-3-8(12(18)19)15(5-7)9-4-10(17)14-11(13-9)6-1-2-6/h4,6-8,16H,1-3,5H2,(H,18,19)(H,13,14,17).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).