2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

C11H15N3O5 — CID 79366666

IUPAC2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCOc1nc(C)cc(=O)n1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-6-4-9(16)14(11(12-6)19-3)5-8(10(17)18)13-7(2)15/h4,8H,5H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyXCGYUFDAGRKNHA-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.85
Rot. Bonds5

About 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid

2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 79366666) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID79366666
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCOc1nc(C)cc(=O)n1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-6-4-9(16)14(11(12-6)19-3)5-8(10(17)18)13-7(2)15/h4,8H,5H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyXCGYUFDAGRKNHA-UHFFFAOYSA-N
XLogP-0.85
TPSA110.52 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 ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid (CID 79366666) is 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is COc1nc(C)cc(=O)n1CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is XCGYUFDAGRKNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6-4-9(16)14(11(12-6)19-3)5-8(10(17)18)13-7(2)15/h4,8H,5H2,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 79366666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).