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

C8H10N2O4 — CID 150036761

IUPAC3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4(7(12)13)2-5-3-9-8(14)10-6(5)11/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyDIKPQAOTYWNSMY-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.67
Rot. Bonds3

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

3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid (PubChem CID 150036761) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
PubChem CID150036761
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
SMILESCC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4(7(12)13)2-5-3-9-8(14)10-6(5)11/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyDIKPQAOTYWNSMY-UHFFFAOYSA-N
XLogP-0.67
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(2-(Carboxyethyl)ethyl)thymine
CID 10656829
2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 253740
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-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 18970257
3-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 55255381
1-(4-Methylcarboxybutyl)-5-(2-hydroxyethyl)uracil
CID 69978949
methyl 3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate
CID 141215803

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid (CID 150036761) is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid is CC(Cc1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
The InChIKey is DIKPQAOTYWNSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(7(12)13)2-5-3-9-8(14)10-6(5)11/h3-4H,2H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.67, 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)-2-methylpropanoic acid is sourced from PubChem (CID 150036761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).