3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid

C8H11N3O4 — CID 63798858

IUPAC3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
SMILESCn1cc(N)c(=O)n(CCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-10-4-5(9)7(14)11(8(10)15)3-2-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyVDQAISXXMJREEJ-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.40
Rot. Bonds3

About 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid

3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 63798858) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
PubChem CID63798858
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
SMILESCn1cc(N)c(=O)n(CCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-10-4-5(9)7(14)11(8(10)15)3-2-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyVDQAISXXMJREEJ-UHFFFAOYSA-N
XLogP-1.40
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-amino-3-methyl-2,6-dioxopyrimidin-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

Related Compounds

2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
CID 4479246
3-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)formamido]propanoic acid
CID 1272738
(S)-1-(2-amino-2-carboxyethyl)-3-methylpyrimidine-2,4-dione
CID 11095939
3-[3-(2-Carboxyethyl)-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl]-L-Alanine
CID 11076522
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)-5-iodopyrimidine-2,4-dione
CID 10363391
(alphaS)-alpha-Amino-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinepropanoic acid
CID 167983
1(2h)-Pyrimidinepropanoic acid, 5-[bis(2-chloroethyl)amino]-3,4-dihydro-2,4-dioxo-
CID 253151
(S)-3-(2-amino-2-carboxyethyl)-1-carboxymethylpyrimidine-2,4-dione
CID 10988917
(2R)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11010618
(R)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyethyl)pyrimidine-2,4-dione
CID 11021987
(2S)-2-amino-3-[3-(carboxymethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
CID 11054302
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 56774539

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid (CID 63798858) is 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid is Cn1cc(N)c(=O)n(CCC(=O)O)c1=O.
What is the InChIKey of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is VDQAISXXMJREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-10-4-5(9)7(14)11(8(10)15)3-2-6(12)13/h4H,2-3,9H2,1H3,(H,12,13).
What are the key properties of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 63798858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).