2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid

C11H15N3O5 — CID 43355266

IUPAC2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5-7(9(16)14-11(19)13-5)3-4-8(15)12-6(2)10(17)18/h6H,3-4H2,1-2H3,(H,12,15)(H,17,18)(H2,13,14,16,19)
InChIKeyCFPQAUVMJLERKQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.11
Rot. Bonds5

About 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid

2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid (PubChem CID 43355266) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
PubChem CID43355266
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-5-7(9(16)14-11(19)13-5)3-4-8(15)12-6(2)10(17)18/h6H,3-4H2,1-2H3,(H,12,15)(H,17,18)(H2,13,14,16,19)
InChIKeyCFPQAUVMJLERKQ-UHFFFAOYSA-N
XLogP-1.11
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]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

5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134136455
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134144587
Ethyl 2-[3-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanoylamino]acetate
CID 2748611
3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43353632
3-methyl-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43353953
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]acetic acid
CID 43354404
3-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43354743
4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 43355004
1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355536
2-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]acetic acid
CID 43356217
3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
CID 43357672
4-[methyl-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]amino]butanoic acid
CID 43359994

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
The IUPAC name of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid (CID 43355266) is 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
The canonical SMILES for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
The InChIKey is CFPQAUVMJLERKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-7(9(16)14-11(19)13-5)3-4-8(15)12-6(2)10(17)18/h6H,3-4H2,1-2H3,(H,12,15)(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 43355266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).