2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid

C11H18N2O4 — CID 102659707

IUPAC2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CC(=O)N2CCC2)C1
InChIInChI=1S/C11H18N2O4/c1-11(17-6-10(15)16)7-12(8-11)5-9(14)13-3-2-4-13/h2-8H2,1H3,(H,15,16)
InChIKeyYKONXUQWOVQTMD-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.61
Rot. Bonds5

About 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659707) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659707
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CC(=O)N2CCC2)C1
InChIInChI=1S/C11H18N2O4/c1-11(17-6-10(15)16)7-12(8-11)5-9(14)13-3-2-4-13/h2-8H2,1H3,(H,15,16)
InChIKeyYKONXUQWOVQTMD-UHFFFAOYSA-N
XLogP-0.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658307
2-[3-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102891329
2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102659604
2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657283
2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
CID 102659384
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid
CID 102659222
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[3-methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659707) is 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CC(=O)N2CCC2)C1.
What is the InChIKey of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is YKONXUQWOVQTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(17-6-10(15)16)7-12(8-11)5-9(14)13-3-2-4-13/h2-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 242.27 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).