methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate

C6H11NO3 — CID 88756331

IUPACmethyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate
SMILESCOC(=O)CC1CC[NH+]1[O-]
InChIInChI=1S/C6H11NO3/c1-10-6(8)4-5-2-3-7(5)9/h5,7H,2-4H2,1H3
InChIKeyWEDHAMFTWNPPKB-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.30
Rot. Bonds2

About methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate

methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate (PubChem CID 88756331) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate
PubChem CID88756331
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate
SMILESCOC(=O)CC1CC[NH+]1[O-]
InChIInChI=1S/C6H11NO3/c1-10-6(8)4-5-2-3-7(5)9/h5,7H,2-4H2,1H3
InChIKeyWEDHAMFTWNPPKB-UHFFFAOYSA-N
XLogP-1.30
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate?
The IUPAC name of methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate (CID 88756331) is methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate?
The canonical SMILES for methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate is COC(=O)CC1CC[NH+]1[O-].
What is the InChIKey of methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate?
The InChIKey is WEDHAMFTWNPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-6(8)4-5-2-3-7(5)9/h5,7H,2-4H2,1H3.
What are the key properties of methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate?
methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate has a molecular weight of 145.16 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxidoazetidin-1-ium-2-yl)acetate is sourced from PubChem (CID 88756331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).