methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate

C15H28N2O4 — CID 102655892

IUPACmethyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)COC1(C)CNC1
InChIInChI=1S/C15H28N2O4/c1-5-12(6-2)7-17(8-14(19)20-4)13(18)9-21-15(3)10-16-11-15/h12,16H,5-11H2,1-4H3
InChIKeyXGUSFMBYFJKJAL-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.80
Rot. Bonds9

About methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate

methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate (PubChem CID 102655892) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate
PubChem CID102655892
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate
SMILESCCC(CC)CN(CC(=O)OC)C(=O)COC1(C)CNC1
InChIInChI=1S/C15H28N2O4/c1-5-12(6-2)7-17(8-14(19)20-4)13(18)9-21-15(3)10-16-11-15/h12,16H,5-11H2,1-4H3
InChIKeyXGUSFMBYFJKJAL-UHFFFAOYSA-N
XLogP0.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate?
The IUPAC name of methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate (CID 102655892) is methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate?
The canonical SMILES for methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate is CCC(CC)CN(CC(=O)OC)C(=O)COC1(C)CNC1.
What is the InChIKey of methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate?
The InChIKey is XGUSFMBYFJKJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-12(6-2)7-17(8-14(19)20-4)13(18)9-21-15(3)10-16-11-15/h12,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate?
methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate has a molecular weight of 300.40 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethylbutyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetate is sourced from PubChem (CID 102655892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).