2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid

C11H15N3O5 — CID 64581121

IUPAC2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid
SMILESCCn1ccc(=O)n(CC(NC(C)=O)C(=O)O)c1=O
InChIInChI=1S/C11H15N3O5/c1-3-13-5-4-9(16)14(11(13)19)6-8(10(17)18)12-7(2)15/h4-5,8H,3,6H2,1-2H3,(H,12,15)(H,17,18)
InChIKeyLIDHAIVXTBLLOY-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.38
Rot. Bonds5

About 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid

2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 64581121) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid
PubChem CID64581121
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid
SMILESCCn1ccc(=O)n(CC(NC(C)=O)C(=O)O)c1=O
InChIInChI=1S/C11H15N3O5/c1-3-13-5-4-9(16)14(11(13)19)6-8(10(17)18)12-7(2)15/h4-5,8H,3,6H2,1-2H3,(H,12,15)(H,17,18)
InChIKeyLIDHAIVXTBLLOY-UHFFFAOYSA-N
XLogP-1.38
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid (CID 64581121) is 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid is CCn1ccc(=O)n(CC(NC(C)=O)C(=O)O)c1=O.
What is the InChIKey of 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is LIDHAIVXTBLLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-13-5-4-9(16)14(11(13)19)6-8(10(17)18)12-7(2)15/h4-5,8H,3,6H2,1-2H3,(H,12,15)(H,17,18).
What are the key properties of 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid?
2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 64581121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).