3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C9H11N3O4 — CID 136959068

IUPAC3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCOC1
InChIInChI=1S/C9H11N3O4/c13-7-3-6(10-5-11-7)12-9(8(14)15)1-2-16-4-9/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13)
InChIKeyMMVFQCAVQNDFFQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.57
Rot. Bonds3

About 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959068) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959068
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCOC1
InChIInChI=1S/C9H11N3O4/c13-7-3-6(10-5-11-7)12-9(8(14)15)1-2-16-4-9/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13)
InChIKeyMMVFQCAVQNDFFQ-UHFFFAOYSA-N
XLogP-0.57
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-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 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959068) is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is O=C(O)C1(Nc2cc(=O)[nH]cn2)CCOC1.
What is the InChIKey of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is MMVFQCAVQNDFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7-3-6(10-5-11-7)12-9(8(14)15)1-2-16-4-9/h3,5H,1-2,4H2,(H,14,15)(H2,10,11,12,13).
What are the key properties of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).