2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid

C13H22N2O5 — CID 102659156

IUPAC2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(NC(=O)N2CC(C)(OCC(=O)O)C2)CCOCC1
InChIInChI=1S/C13H22N2O5/c1-12(3-5-19-6-4-12)14-11(18)15-8-13(2,9-15)20-7-10(16)17/h3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXPLLWPRNFSOQMX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.44
Rot. Bonds4

About 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102659156) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
PubChem CID102659156
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
SMILESCC1(NC(=O)N2CC(C)(OCC(=O)O)C2)CCOCC1
InChIInChI=1S/C13H22N2O5/c1-12(3-5-19-6-4-12)14-11(18)15-8-13(2,9-15)20-7-10(16)17/h3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXPLLWPRNFSOQMX-UHFFFAOYSA-N
XLogP0.44
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658836
2-[3-methyl-1-(2-methylbutan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658447
2-[1-(2-methoxyethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658451
2-[3-methyl-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658800
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149
2-[3-methyl-1-(4,4,4-trifluorobutylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659066
2-[3-methyl-1-(1H-pyrazol-4-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658595
2-[3-methyl-1-(2-phenylethylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658501
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[3-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658850
2-[1-[(4-chloro-2-iodophenyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 107628223
2-[1-(1-aminocyclopentanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658307

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid (CID 102659156) is 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is CC1(NC(=O)N2CC(C)(OCC(=O)O)C2)CCOCC1.
What is the InChIKey of 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is XPLLWPRNFSOQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-12(3-5-19-6-4-12)14-11(18)15-8-13(2,9-15)20-7-10(16)17/h3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).