2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid

C11H19NO5 — CID 67455791

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)COCC1CCN1C(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-9(13)7-16-6-8-4-5-12(8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyYYWIXXOIGDPJIZ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds4

About 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid

2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid (PubChem CID 67455791) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid
PubChem CID67455791
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)COCC1CCN1C(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-9(13)7-16-6-8-4-5-12(8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyYYWIXXOIGDPJIZ-UHFFFAOYSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid (CID 67455791) is 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid is CC(C)(C)OC(=O)COCC1CCN1C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid?
The InChIKey is YYWIXXOIGDPJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-9(13)7-16-6-8-4-5-12(8)10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid?
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 67455791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).