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

C10H14N2O4 — CID 63074093

IUPAC2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCCOC(Cn1cnc(C)cc1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-3-16-8(10(14)15)5-12-6-11-7(2)4-9(12)13/h4,6,8H,3,5H2,1-2H3,(H,14,15)
InChIKeyHGIOOTVEENJYTO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.04
Rot. Bonds5

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

2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 63074093) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID63074093
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCCOC(Cn1cnc(C)cc1=O)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-3-16-8(10(14)15)5-12-6-11-7(2)4-9(12)13/h4,6,8H,3,5H2,1-2H3,(H,14,15)
InChIKeyHGIOOTVEENJYTO-UHFFFAOYSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid (CID 63074093) is 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid is CCOC(Cn1cnc(C)cc1=O)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is HGIOOTVEENJYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-16-8(10(14)15)5-12-6-11-7(2)4-9(12)13/h4,6,8H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid?
2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 63074093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).