methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

C12H21NO6 — CID 62954172

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO6/c1-12(2,3)19-11(16)8-13(6-9(14)17-4)7-10(15)18-5/h6-8H2,1-5H3
InChIKeyQPFFIZIYWKGGJS-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.02
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (PubChem CID 62954172) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
PubChem CID62954172
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO6/c1-12(2,3)19-11(16)8-13(6-9(14)17-4)7-10(15)18-5/h6-8H2,1-5H3
InChIKeyQPFFIZIYWKGGJS-UHFFFAOYSA-N
XLogP-0.02
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (CID 62954172) is methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is COC(=O)CN(CC(=O)OC)CC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The InChIKey is QPFFIZIYWKGGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-12(2,3)19-11(16)8-13(6-9(14)17-4)7-10(15)18-5/h6-8H2,1-5H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate has a molecular weight of 275.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 62954172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).