2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride

C7H14ClNO3 — CID 122164497

IUPAC2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride
SMILESCOC1(C)CN(CC(=O)O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-7(11-2)4-8(5-7)3-6(9)10;/h3-5H2,1-2H3,(H,9,10);1H
InChIKeySKGUFMBWFPJGKX-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.21
Rot. Bonds3

About 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride

2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride (PubChem CID 122164497) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride
PubChem CID122164497
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride
SMILESCOC1(C)CN(CC(=O)O)C1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-7(11-2)4-8(5-7)3-6(9)10;/h3-5H2,1-2H3,(H,9,10);1H
InChIKeySKGUFMBWFPJGKX-UHFFFAOYSA-N
XLogP0.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride (CID 122164497) is 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride is COC1(C)CN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride?
The InChIKey is SKGUFMBWFPJGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-7(11-2)4-8(5-7)3-6(9)10;/h3-5H2,1-2H3,(H,9,10);1H.
What are the key properties of 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride?
2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylazetidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 122164497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).