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

C11H18N2O6 — CID 102658435

IUPAC2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOC(=O)CN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-11(19-5-8(14)15)6-13(7-11)10(17)12(2)4-9(16)18-3/h4-7H2,1-3H3,(H,14,15)
InChIKeyGOHQFZVBQBGZQX-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.61
Rot. Bonds5

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

2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658435) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658435
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCOC(=O)CN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-11(19-5-8(14)15)6-13(7-11)10(17)12(2)4-9(16)18-3/h4-7H2,1-3H3,(H,14,15)
InChIKeyGOHQFZVBQBGZQX-UHFFFAOYSA-N
XLogP-0.61
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658435) is 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is COC(=O)CN(C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is GOHQFZVBQBGZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-11(19-5-8(14)15)6-13(7-11)10(17)12(2)4-9(16)18-3/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 274.27 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).