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

C9H11N3O4 — CID 136958341

IUPAC4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H11N3O4/c13-5-1-6(9(15)16)12(3-5)7-2-8(14)11-4-10-7/h2,4-6,13H,1,3H2,(H,15,16)(H,10,11,14)
InChIKeyXGAYXRLPNJZIKZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.21
Rot. Bonds2

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

4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136958341) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136958341
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H11N3O4/c13-5-1-6(9(15)16)12(3-5)7-2-8(14)11-4-10-7/h2,4-6,13H,1,3H2,(H,15,16)(H,10,11,14)
InChIKeyXGAYXRLPNJZIKZ-UHFFFAOYSA-N
XLogP-1.21
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-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 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136958341) is 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is XGAYXRLPNJZIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-5-1-6(9(15)16)12(3-5)7-2-8(14)11-4-10-7/h2,4-6,13H,1,3H2,(H,15,16)(H,10,11,14).
What are the key properties of 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).