1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone

C12H23NO3 — CID 126837154

IUPAC1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CC(COC)C1
InChIInChI=1S/C12H23NO3/c1-3-4-5-6-16-10-12(14)13-7-11(8-13)9-15-2/h11H,3-10H2,1-2H3
InChIKeyCRLRNGBESURUMA-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.30
Rot. Bonds8

About 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone

1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone (PubChem CID 126837154) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
PubChem CID126837154
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CC(COC)C1
InChIInChI=1S/C12H23NO3/c1-3-4-5-6-16-10-12(14)13-7-11(8-13)9-15-2/h11H,3-10H2,1-2H3
InChIKeyCRLRNGBESURUMA-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-methyl-1-(2-pentoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120952187
2-butoxy-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 71915017
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
(3S,4S)-1-(2-pentoxyacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950347
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122
1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
CID 20583703
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
CID 126820006
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
1-(2-propoxyacetyl)azetidine-3-carboxylic acid
CID 107938026

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone?
The IUPAC name of 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone (CID 126837154) is 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone?
The canonical SMILES for 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone is CCCCCOCC(=O)N1CC(COC)C1.
What is the InChIKey of 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone?
The InChIKey is CRLRNGBESURUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-6-16-10-12(14)13-7-11(8-13)9-15-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone?
1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone has a molecular weight of 229.32 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone is sourced from PubChem (CID 126837154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).