2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid

C11H17N3O3 — CID 66332093

IUPAC2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
SMILESCCOc1cc(N(C)C(C)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O3/c1-5-17-10-6-9(12-8(3)13-10)14(4)7(2)11(15)16/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyGJUIPZBRPWFHOC-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.09
Rot. Bonds5

About 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid

2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid (PubChem CID 66332093) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
PubChem CID66332093
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
SMILESCCOc1cc(N(C)C(C)C(=O)O)nc(C)n1
InChIInChI=1S/C11H17N3O3/c1-5-17-10-6-9(12-8(3)13-10)14(4)7(2)11(15)16/h6-7H,5H2,1-4H3,(H,15,16)
InChIKeyGJUIPZBRPWFHOC-UHFFFAOYSA-N
XLogP1.09
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
The IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid (CID 66332093) is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid is CCOc1cc(N(C)C(C)C(=O)O)nc(C)n1.
What is the InChIKey of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
The InChIKey is GJUIPZBRPWFHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-17-10-6-9(12-8(3)13-10)14(4)7(2)11(15)16/h6-7H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid?
2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid is sourced from PubChem (CID 66332093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).