2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid

C19H22N2O8 — CID 118591141

IUPAC2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)OC(C(=O)O)C1OCCN(c2cccc(C3(OC(C)=O)CCC3)n2)C1=O
InChIInChI=1S/C19H22N2O8/c1-11(22)28-16(18(25)26)15-17(24)21(9-10-27-15)14-6-3-5-13(20-14)19(7-4-8-19)29-12(2)23/h3,5-6,15-16H,4,7-10H2,1-2H3,(H,25,26)
InChIKeyHJVUUZUMOYSEJL-UHFFFAOYSA-N
MW406.39 g/mol
LogP0.77
Rot. Bonds6

About 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid

2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid (PubChem CID 118591141) has the molecular formula C19H22N2O8 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
PubChem CID118591141
Molecular FormulaC19H22N2O8
Molecular Weight406.39 g/mol
Exact Mass406.14
IUPAC Name2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCC(=O)OC(C(=O)O)C1OCCN(c2cccc(C3(OC(C)=O)CCC3)n2)C1=O
InChIInChI=1S/C19H22N2O8/c1-11(22)28-16(18(25)26)15-17(24)21(9-10-27-15)14-6-3-5-13(20-14)19(7-4-8-19)29-12(2)23/h3,5-6,15-16H,4,7-10H2,1-2H3,(H,25,26)
InChIKeyHJVUUZUMOYSEJL-UHFFFAOYSA-N
XLogP0.77
TPSA132.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid (CID 118591141) is 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid is CC(=O)OC(C(=O)O)C1OCCN(c2cccc(C3(OC(C)=O)CCC3)n2)C1=O.
What is the InChIKey of 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is HJVUUZUMOYSEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O8/c1-11(22)28-16(18(25)26)15-17(24)21(9-10-27-15)14-6-3-5-13(20-14)19(7-4-8-19)29-12(2)23/h3,5-6,15-16H,4,7-10H2,1-2H3,(H,25,26).
What are the key properties of 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid?
2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 406.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 118591141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).