azetidin-1-ium-2-carboxylate

C4H7NO2 — CID 5248351

IUPACazetidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CC[NH2+]1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyIADUEWIQBXOCDZ-UHFFFAOYSA-N
MW101.11 g/mol
LogP-2.93
Rot. Bonds1

About azetidin-1-ium-2-carboxylate

azetidin-1-ium-2-carboxylate (PubChem CID 5248351) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is azetidin-1-ium-2-carboxylate.

Molecular Properties

Compound Nameazetidin-1-ium-2-carboxylate
PubChem CID5248351
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Nameazetidin-1-ium-2-carboxylate
SMILESO=C([O-])C1CC[NH2+]1
InChIInChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
InChIKeyIADUEWIQBXOCDZ-UHFFFAOYSA-N
XLogP-2.93
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-2.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-ium-2-carboxylate?
The IUPAC name of azetidin-1-ium-2-carboxylate (CID 5248351) is azetidin-1-ium-2-carboxylate.
What is the SMILES notation for azetidin-1-ium-2-carboxylate?
The canonical SMILES for azetidin-1-ium-2-carboxylate is O=C([O-])C1CC[NH2+]1.
What is the InChIKey of azetidin-1-ium-2-carboxylate?
The InChIKey is IADUEWIQBXOCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7).
What are the key properties of azetidin-1-ium-2-carboxylate?
azetidin-1-ium-2-carboxylate has a molecular weight of 101.11 g/mol, XLogP of -2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-ium-2-carboxylate is sourced from PubChem (CID 5248351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).