1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone

C7H13NO3 — CID 131009500

IUPAC1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone
SMILESCOCC1(O)CN(C(C)=O)C1
InChIInChI=1S/C7H13NO3/c1-6(9)8-3-7(10,4-8)5-11-2/h10H,3-5H2,1-2H3
InChIKeyRBFVHXGAJWEYQZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.77
Rot. Bonds2

About 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone

1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone (PubChem CID 131009500) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone
PubChem CID131009500
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone
SMILESCOCC1(O)CN(C(C)=O)C1
InChIInChI=1S/C7H13NO3/c1-6(9)8-3-7(10,4-8)5-11-2/h10H,3-5H2,1-2H3
InChIKeyRBFVHXGAJWEYQZ-UHFFFAOYSA-N
XLogP-0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone (CID 131009500) is 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone is COCC1(O)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone?
The InChIKey is RBFVHXGAJWEYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)8-3-7(10,4-8)5-11-2/h10H,3-5H2,1-2H3.
What are the key properties of 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone?
1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone has a molecular weight of 159.19 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 131009500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).