(2,4-dioxopyrimidin-1-yl) propanoate

C7H8N2O4 — CID 174912968

IUPAC(2,4-dioxopyrimidin-1-yl) propanoate
SMILESCCC(=O)On1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-6(11)13-9-4-3-5(10)8-7(9)12/h3-4H,2H2,1H3,(H,8,10,12)
InChIKeyOSWQRFKPLPNTCU-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.10
Rot. Bonds2

About (2,4-dioxopyrimidin-1-yl) propanoate

(2,4-dioxopyrimidin-1-yl) propanoate (PubChem CID 174912968) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is (2,4-dioxopyrimidin-1-yl) propanoate.

Molecular Properties

Compound Name(2,4-dioxopyrimidin-1-yl) propanoate
PubChem CID174912968
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name(2,4-dioxopyrimidin-1-yl) propanoate
SMILESCCC(=O)On1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-6(11)13-9-4-3-5(10)8-7(9)12/h3-4H,2H2,1H3,(H,8,10,12)
InChIKeyOSWQRFKPLPNTCU-UHFFFAOYSA-N
XLogP-1.10
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,4-dioxopyrimidin-1-yl) propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-dioxopyrimidin-1-yl) acetate
CID 57007226
sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride
CID 174402770
(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate
CID 57302297
8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
CID 169034530
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
1-hexadecoxypyrimidine-2,4-dione
CID 177191726
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
CID 91571819
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxopyrimidin-1-yl) propanoate?
The IUPAC name of (2,4-dioxopyrimidin-1-yl) propanoate (CID 174912968) is (2,4-dioxopyrimidin-1-yl) propanoate.
What is the SMILES notation for (2,4-dioxopyrimidin-1-yl) propanoate?
The canonical SMILES for (2,4-dioxopyrimidin-1-yl) propanoate is CCC(=O)On1ccc(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxopyrimidin-1-yl) propanoate?
The InChIKey is OSWQRFKPLPNTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-6(11)13-9-4-3-5(10)8-7(9)12/h3-4H,2H2,1H3,(H,8,10,12).
What are the key properties of (2,4-dioxopyrimidin-1-yl) propanoate?
(2,4-dioxopyrimidin-1-yl) propanoate has a molecular weight of 184.15 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxopyrimidin-1-yl) propanoate is sourced from PubChem (CID 174912968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).