azetidin-1-ium-3-carboxylic acid chloride

C4H8ClNO2 — CID 134897429

IUPACazetidin-1-ium-3-carboxylic acid chloride
SMILESO=C(O)C1C[NH2+]C1.[Cl-]
InChIInChI=1S/C4H7NO2.ClH/c6-4(7)3-1-5-2-3;/h3,5H,1-2H2,(H,6,7);1H
InChIKeyRNIZUCJGSDJAOQ-UHFFFAOYSA-N
MW137.57 g/mol
LogP-4.73
Rot. Bonds1

About azetidin-1-ium-3-carboxylic acid chloride

azetidin-1-ium-3-carboxylic acid chloride (PubChem CID 134897429) has the molecular formula C4H8ClNO2 and a molecular weight of 137.57 g/mol. Its IUPAC name is azetidin-1-ium-3-carboxylic acid chloride.

Molecular Properties

Compound Nameazetidin-1-ium-3-carboxylic acid chloride
PubChem CID134897429
Molecular FormulaC4H8ClNO2
Molecular Weight137.57 g/mol
Exact Mass137.02
IUPAC Nameazetidin-1-ium-3-carboxylic acid chloride
SMILESO=C(O)C1C[NH2+]C1.[Cl-]
InChIInChI=1S/C4H7NO2.ClH/c6-4(7)3-1-5-2-3;/h3,5H,1-2H2,(H,6,7);1H
InChIKeyRNIZUCJGSDJAOQ-UHFFFAOYSA-N
XLogP-4.73
TPSA53.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.57
LogP ≤ 5-4.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-ium-3-carboxylic acid chloride?
The IUPAC name of azetidin-1-ium-3-carboxylic acid chloride (CID 134897429) is azetidin-1-ium-3-carboxylic acid chloride.
What is the SMILES notation for azetidin-1-ium-3-carboxylic acid chloride?
The canonical SMILES for azetidin-1-ium-3-carboxylic acid chloride is O=C(O)C1C[NH2+]C1.[Cl-].
What is the InChIKey of azetidin-1-ium-3-carboxylic acid chloride?
The InChIKey is RNIZUCJGSDJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.ClH/c6-4(7)3-1-5-2-3;/h3,5H,1-2H2,(H,6,7);1H.
What are the key properties of azetidin-1-ium-3-carboxylic acid chloride?
azetidin-1-ium-3-carboxylic acid chloride has a molecular weight of 137.57 g/mol, XLogP of -4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-ium-3-carboxylic acid chloride is sourced from PubChem (CID 134897429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).