2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

C19H30N4O4 — CID 72915912

IUPAC2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCCC1(O)CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1
InChIInChI=1S/C19H30N4O4/c1-4-19(26)6-5-7-23(13-19)17-20-12-14(18(2,3)16(24)25)15(21-17)22-8-10-27-11-9-22/h12,26H,4-11,13H2,1-3H3,(H,24,25)
InChIKeyIPOIIUIQAZUUQZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.42
Rot. Bonds5

About 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (PubChem CID 72915912) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
PubChem CID72915912
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCCC1(O)CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1
InChIInChI=1S/C19H30N4O4/c1-4-19(26)6-5-7-23(13-19)17-20-12-14(18(2,3)16(24)25)15(21-17)22-8-10-27-11-9-22/h12,26H,4-11,13H2,1-3H3,(H,24,25)
InChIKeyIPOIIUIQAZUUQZ-UHFFFAOYSA-N
XLogP1.42
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (CID 72915912) is 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is CCC1(O)CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1.
What is the InChIKey of 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The InChIKey is IPOIIUIQAZUUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-4-19(26)6-5-7-23(13-19)17-20-12-14(18(2,3)16(24)25)15(21-17)22-8-10-27-11-9-22/h12,26H,4-11,13H2,1-3H3,(H,24,25).
What are the key properties of 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid has a molecular weight of 378.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 72915912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).