(2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium

C5H11NO2 — CID 163455332

IUPAC(2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium
SMILESCOC1C[NH+]([O-])[C@H]1C
InChIInChI=1S/C5H11NO2/c1-4-5(8-2)3-6(4)7/h4-6H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyBJYYOMGEOAKNGA-ROLXFIACSA-N
MW117.15 g/mol
LogP-1.21
Rot. Bonds1

About (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium

(2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium (PubChem CID 163455332) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium.

Molecular Properties

Compound Name(2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium
PubChem CID163455332
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium
SMILESCOC1C[NH+]([O-])[C@H]1C
InChIInChI=1S/C5H11NO2/c1-4-5(8-2)3-6(4)7/h4-6H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyBJYYOMGEOAKNGA-ROLXFIACSA-N
XLogP-1.21
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
[(2S)-2-methoxycyclobutyl]azanium
CID 162453896
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
1,4-dimethoxy-2-methylcyclopentane
CID 170203002
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
(3R)-3-methoxy-4-methyloxolane
CID 147902074
1-methoxy-2-propan-2-ylcyclopropane
CID 77441779
1,2-dimethoxy-3-methylcyclopentane
CID 57086988
4,5-dimethoxycyclohexene
CID 14673787
ethane;1-methoxy-2-methylcyclopentane
CID 142110191
2-methoxycyclohexan-1-olate
CID 135042993

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium?
The IUPAC name of (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium (CID 163455332) is (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium.
What is the SMILES notation for (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium?
The canonical SMILES for (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium is COC1C[NH+]([O-])[C@H]1C.
What is the InChIKey of (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium?
The InChIKey is BJYYOMGEOAKNGA-ROLXFIACSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4-5(8-2)3-6(4)7/h4-6H,3H2,1-2H3/t4-,5?/m0/s1.
What are the key properties of (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium?
(2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium has a molecular weight of 117.15 g/mol, XLogP of -1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-methyl-1-oxidoazetidin-1-ium is sourced from PubChem (CID 163455332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).