2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid

C9H17NO3S — CID 102659384

IUPAC2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
SMILESCSCCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H17NO3S/c1-9(13-5-8(11)12)6-10(7-9)3-4-14-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyHQUTYRMMEFDWSI-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.52
Rot. Bonds6

About 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659384) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659384
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
SMILESCSCCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C9H17NO3S/c1-9(13-5-8(11)12)6-10(7-9)3-4-14-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyHQUTYRMMEFDWSI-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-[2-(4-fluorophenyl)sulfanylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659227
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[3-methyl-1-(4-methylsulfanylbutylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659152
2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102659604
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707
2-[1-[3-(cyclohexylamino)-3-oxopropyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659390
2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659234

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid (CID 102659384) is 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid is CSCCN1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is HQUTYRMMEFDWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(13-5-8(11)12)6-10(7-9)3-4-14-2/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 219.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).