3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

C7H8N2O4 — CID 18970257

IUPAC3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h3H,1-2H2,(H,10,11)(H2,8,9,12,13)
InChIKeyANGNLWRUTCNXSE-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.92
Rot. Bonds3

About 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid

3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 18970257) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID18970257
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
SMILESO=C(O)CCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h3H,1-2H2,(H,10,11)(H2,8,9,12,13)
InChIKeyANGNLWRUTCNXSE-UHFFFAOYSA-N
XLogP-0.92
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Carboxyethyl)ethyl)thymine
CID 10656829
2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 253740
5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione
CID 301600
2-Amino-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid hydrochloride
CID 138991852
3-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-propionic acid
CID 2748596
3-(2,6-Dihydroxypyrimidine-5-yl)-alanine
CID 11390010
(R,S)-3-(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-butyric acid
CID 7053157
3-(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)butanoic acid
CID 2748599
4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid
CID 18970230
3-(1-Butan-2-yl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propanoic acid
CID 54101436
3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 55255381
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid
CID 57136520

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid (CID 18970257) is 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is O=C(O)CCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is ANGNLWRUTCNXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-5(11)2-1-4-3-8-7(13)9-6(4)12/h3H,1-2H2,(H,10,11)(H2,8,9,12,13).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid?
3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 18970257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).