methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate

C10H21NO4 — CID 81089731

IUPACmethyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC(OC)OC)C(C)C
InChIInChI=1S/C10H21NO4/c1-8(2)11(6-9(12)13-3)7-10(14-4)15-5/h8,10H,6-7H2,1-5H3
InChIKeyZTKXXTZGFVDTDI-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.49
Rot. Bonds7

About methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate

methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate (PubChem CID 81089731) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
PubChem CID81089731
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC(OC)OC)C(C)C
InChIInChI=1S/C10H21NO4/c1-8(2)11(6-9(12)13-3)7-10(14-4)15-5/h8,10H,6-7H2,1-5H3
InChIKeyZTKXXTZGFVDTDI-UHFFFAOYSA-N
XLogP0.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate (CID 81089731) is methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate is COC(=O)CN(CC(OC)OC)C(C)C.
What is the InChIKey of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
The InChIKey is ZTKXXTZGFVDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(2)11(6-9(12)13-3)7-10(14-4)15-5/h8,10H,6-7H2,1-5H3.
What are the key properties of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate has a molecular weight of 219.28 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 81089731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).