2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

C19H30N4O4 — CID 72900932

IUPAC2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOCC1CCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H30N4O4/c1-19(2,17(24)25)15-12-20-18(21-16(15)22-8-10-27-11-9-22)23-6-4-14(5-7-23)13-26-3/h12,14H,4-11,13H2,1-3H3,(H,24,25)
InChIKeyOORKCCMYNKJPCG-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.54
Rot. Bonds6

About 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (PubChem CID 72900932) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
PubChem CID72900932
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOCC1CCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H30N4O4/c1-19(2,17(24)25)15-12-20-18(21-16(15)22-8-10-27-11-9-22)23-6-4-14(5-7-23)13-26-3/h12,14H,4-11,13H2,1-3H3,(H,24,25)
InChIKeyOORKCCMYNKJPCG-UHFFFAOYSA-N
XLogP1.54
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (CID 72900932) is 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is COCC1CCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The InChIKey is OORKCCMYNKJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-19(2,17(24)25)15-12-20-18(21-16(15)22-8-10-27-11-9-22)23-6-4-14(5-7-23)13-26-3/h12,14H,4-11,13H2,1-3H3,(H,24,25).
What are the key properties of 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid has a molecular weight of 378.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(methoxymethyl)piperidin-1-yl]-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 72900932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).