methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate

C7H13NO4 — CID 12770583

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C7H13NO4/c1-8(4-6(9)11-2)5-7(10)12-3/h4-5H2,1-3H3
InChIKeyRTKQGHBTUHGYNR-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.74
Rot. Bonds4

About methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate (PubChem CID 12770583) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate
PubChem CID12770583
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C7H13NO4/c1-8(4-6(9)11-2)5-7(10)12-3/h4-5H2,1-3H3
InChIKeyRTKQGHBTUHGYNR-UHFFFAOYSA-N
XLogP-0.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate (CID 12770583) is methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate is COC(=O)CN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate?
The InChIKey is RTKQGHBTUHGYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8(4-6(9)11-2)5-7(10)12-3/h4-5H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate has a molecular weight of 175.18 g/mol, XLogP of -0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-methylamino]acetate is sourced from PubChem (CID 12770583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).