methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate

C9H16N2O5 — CID 78953568

IUPACmethyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)N(C)C
InChIInChI=1S/C9H16N2O5/c1-10(2)9(14)11(5-7(12)15-3)6-8(13)16-4/h5-6H2,1-4H3
InChIKeyZYJSSXMCTTYYGN-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.68
Rot. Bonds4

About methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 78953568) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID78953568
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Namemethyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)N(C)C
InChIInChI=1S/C9H16N2O5/c1-10(2)9(14)11(5-7(12)15-3)6-8(13)16-4/h5-6H2,1-4H3
InChIKeyZYJSSXMCTTYYGN-UHFFFAOYSA-N
XLogP-0.68
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 78953568) is methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)N(C)C.
What is the InChIKey of methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is ZYJSSXMCTTYYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-10(2)9(14)11(5-7(12)15-3)6-8(13)16-4/h5-6H2,1-4H3.
What are the key properties of methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 232.24 g/mol, XLogP of -0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 78953568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).