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

C7H13NO5 — CID 87277732

IUPACmethyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate
SMILESCOC(=O)CON(C)CC(=O)OC
InChIInChI=1S/C7H13NO5/c1-8(4-6(9)11-2)13-5-7(10)12-3/h4-5H2,1-3H3
InChIKeyKKIDOPVEFXESAT-UHFFFAOYSA-N
MW191.18 g/mol
LogP-0.80
Rot. Bonds5

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

methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate (PubChem CID 87277732) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate
PubChem CID87277732
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate
SMILESCOC(=O)CON(C)CC(=O)OC
InChIInChI=1S/C7H13NO5/c1-8(4-6(9)11-2)13-5-7(10)12-3/h4-5H2,1-3H3
InChIKeyKKIDOPVEFXESAT-UHFFFAOYSA-N
XLogP-0.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate (CID 87277732) is methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate is COC(=O)CON(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate?
The InChIKey is KKIDOPVEFXESAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-8(4-6(9)11-2)13-5-7(10)12-3/h4-5H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate has a molecular weight of 191.18 g/mol, XLogP of -0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethoxy)-methylamino]acetate is sourced from PubChem (CID 87277732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).