1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone

C12H22N2O3 — CID 144653900

IUPAC1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCOCC1CN(C(=O)CC2CCOCC2)C1N
InChIInChI=1S/C12H22N2O3/c1-16-8-10-7-14(12(10)13)11(15)6-9-2-4-17-5-3-9/h9-10,12H,2-8,13H2,1H3
InChIKeyYOJCYDTWLXUAGN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.19
Rot. Bonds4

About 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone

1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 144653900) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID144653900
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCOCC1CN(C(=O)CC2CCOCC2)C1N
InChIInChI=1S/C12H22N2O3/c1-16-8-10-7-14(12(10)13)11(15)6-9-2-4-17-5-3-9/h9-10,12H,2-8,13H2,1H3
InChIKeyYOJCYDTWLXUAGN-UHFFFAOYSA-N
XLogP0.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone (CID 144653900) is 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone is COCC1CN(C(=O)CC2CCOCC2)C1N.
What is the InChIKey of 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is YOJCYDTWLXUAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-8-10-7-14(12(10)13)11(15)6-9-2-4-17-5-3-9/h9-10,12H,2-8,13H2,1H3.
What are the key properties of 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone?
1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(methoxymethyl)azetidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 144653900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).