3-(2-oxopyrimidin-1-yl)propanoic acid

C7H8N2O3 — CID 16790969

IUPAC3-(2-oxopyrimidin-1-yl)propanoic acid
SMILESO=C(O)CCn1cccnc1=O
InChIInChI=1S/C7H8N2O3/c10-6(11)2-5-9-4-1-3-8-7(9)12/h1,3-4H,2,5H2,(H,10,11)
InChIKeyPDNNEAGDLZTHOG-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.28
Rot. Bonds3

About 3-(2-oxopyrimidin-1-yl)propanoic acid

3-(2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 16790969) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-(2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxopyrimidin-1-yl)propanoic acid
PubChem CID16790969
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-(2-oxopyrimidin-1-yl)propanoic acid
SMILESO=C(O)CCn1cccnc1=O
InChIInChI=1S/C7H8N2O3/c10-6(11)2-5-9-4-1-3-8-7(9)12/h1,3-4H,2,5H2,(H,10,11)
InChIKeyPDNNEAGDLZTHOG-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-oxopyrimidin-1-yl)propanoic 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-(2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 3-(2-oxopyrimidin-1-yl)propanoic acid (CID 16790969) is 3-(2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2-oxopyrimidin-1-yl)propanoic acid is O=C(O)CCn1cccnc1=O.
What is the InChIKey of 3-(2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is PDNNEAGDLZTHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6(11)2-5-9-4-1-3-8-7(9)12/h1,3-4H,2,5H2,(H,10,11).
What are the key properties of 3-(2-oxopyrimidin-1-yl)propanoic acid?
3-(2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 168.15 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 16790969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).