1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone

C14H25NO4 — CID 103557199

IUPAC1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CC(CO)OC(C)(C)C2)CCC1
InChIInChI=1S/C14H25NO4/c1-13(2)10-15(8-11(9-16)19-13)12(17)7-14(18-3)5-4-6-14/h11,16H,4-10H2,1-3H3
InChIKeyGGXHKFWNFMRJBH-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.94
Rot. Bonds4

About 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone

1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103557199) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
PubChem CID103557199
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CC(CO)OC(C)(C)C2)CCC1
InChIInChI=1S/C14H25NO4/c1-13(2)10-15(8-11(9-16)19-13)12(17)7-14(18-3)5-4-6-14/h11,16H,4-10H2,1-3H3
InChIKeyGGXHKFWNFMRJBH-UHFFFAOYSA-N
XLogP0.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone (CID 103557199) is 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CC(CO)OC(C)(C)C2)CCC1.
What is the InChIKey of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is GGXHKFWNFMRJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2)10-15(8-11(9-16)19-13)12(17)7-14(18-3)5-4-6-14/h11,16H,4-10H2,1-3H3.
What are the key properties of 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone?
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103557199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).