2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide

C7H9N3O5 — CID 171867850

IUPAC2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESNC(=O)C(O)C(O)c1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O5/c8-5(13)4(12)3(11)2-6(14)9-1-10-7(2)15/h1,3-4,11-12H,(H2,8,13)(H2,9,10,14,15)
InChIKeyBIABFQLVBDAGTG-UHFFFAOYSA-N
MW215.17 g/mol
LogP-2.64
Rot. Bonds3

About 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide

2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 171867850) has the molecular formula C7H9N3O5 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID171867850
Molecular FormulaC7H9N3O5
Molecular Weight215.17 g/mol
Exact Mass215.05
IUPAC Name2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESNC(=O)C(O)C(O)c1c(O)nc[nH]c1=O
InChIInChI=1S/C7H9N3O5/c8-5(13)4(12)3(11)2-6(14)9-1-10-7(2)15/h1,3-4,11-12H,(H2,8,13)(H2,9,10,14,15)
InChIKeyBIABFQLVBDAGTG-UHFFFAOYSA-N
XLogP-2.64
TPSA149.53 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide 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 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 171867850) is 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide is NC(=O)C(O)C(O)c1c(O)nc[nH]c1=O.
What is the InChIKey of 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is BIABFQLVBDAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c8-5(13)4(12)3(11)2-6(14)9-1-10-7(2)15/h1,3-4,11-12H,(H2,8,13)(H2,9,10,14,15).
What are the key properties of 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide?
2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 215.17 g/mol, XLogP of -2.64, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 171867850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).