2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid

C11H15N3O3 — CID 83897522

IUPAC2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-8(10(15)16)9-2-3-12-11(13-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyTUEXDMWKMJEYLC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.50
Rot. Bonds3

About 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid

2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid (PubChem CID 83897522) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid
PubChem CID83897522
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-8(10(15)16)9-2-3-12-11(13-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyTUEXDMWKMJEYLC-UHFFFAOYSA-N
XLogP0.50
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid (CID 83897522) is 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid is CC(C(=O)O)c1ccnc(N2CCOCC2)n1.
What is the InChIKey of 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid?
The InChIKey is TUEXDMWKMJEYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(10(15)16)9-2-3-12-11(13-9)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid?
2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 83897522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).